MiMeDB: Showing metabocard for Ardeemin (MMDBc0013087)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-05-15 04:28:16 UTC

Update Date

2025-10-07 16:06:05 UTC

Metabolite ID

MMDBc0013087

Metabolite Identification

Common Name

Ardeemin

Description

Ardeemin is a cyclic tripeptide derivative belonging to the class of non-ribosomal peptides, primarily synthesized by fungi such as Aspergillus fischeri. This compound is notable for its complex biosynthetic pathway, which involves the non-ribosomal peptide synthetase ArdA and the prenyltransferase ArdB, leading to the formation of the pharmaceutically active hexacyclic structure of ardeemin fumiquinazoline (FQ). Recent studies have identified several ardeemin analogs, including alboluteins A-C, derived from the solid rice-based cultures of Malbranchea albolutea (PMID:33524855 ). Additionally, research has highlighted the potential of ardeemin derivatives, such as 5-N-acetylardeemin and 5-N-formylardeemin, in reversing multidrug resistance in cancer cells, enhancing the efficacy of chemotherapeutic agents like doxorubicin and vincristine (PMID:24858827 ). The synthesis of these derivatives has been achieved through innovative methods, including Ugi three-component reactions (PMID:25835358 ). Furthermore, ardeemin and its enantiomer are recognized as potential substrates for aromatic prenyltransferases, showcasing their significance in biochemical pathways (PMID:30863875 ). Overall, ardeemin and its derivatives exhibit promising biological activities, particularly in cancer treatment strategies.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652305152106282D          

 35 40  0  0  1  0            999 V2000
    5.6993    4.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9649   -0.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6622    2.8466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3093    2.9442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4369    3.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5674    2.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5325    3.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1879    3.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0879    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1228    1.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3566    3.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3637    3.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4675    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3027    2.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5854    0.2701    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2987    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7362    2.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9191    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2916    1.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8262    1.7351    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6504    1.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7612    0.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8541    0.9275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5833    1.2483    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4857    2.8954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5345    2.0718    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0950    2.3925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8152    0.9473    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0299    0.9651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3817    1.0402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3166   -0.3873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2336    0.1950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1408   -0.4248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2058    1.0026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6321    0.4247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  2  0  0  0  0
  8  6  2  0  0  0  0
  9  7  2  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 15  2  1  6  0  0  0
 16 10  2  0  0  0  0
 17 11  2  0  0  0  0
 18 12  2  0  0  0  0
 18 16  1  0  0  0  0
 19 13  2  0  0  0  0
 19 17  1  0  0  0  0
 20 14  1  0  0  0  0
 21 20  1  0  0  0  0
 22 15  1  0  0  0  0
 23 16  1  0  0  0  0
 25  3  1  0  0  0  0
 25  4  1  0  0  0  0
 25  5  1  0  0  0  0
 26 14  1  0  0  0  0
 26 17  1  0  0  0  0
 26 24  1  0  0  0  0
 26 25  1  1  0  0  0
 27 18  1  0  0  0  0
 27 21  2  0  0  0  0
 28 19  1  0  0  0  0
 28 24  1  0  0  0  0
 29 15  1  0  0  0  0
 29 21  1  0  0  0  0
 29 23  1  0  0  0  0
 30 20  1  0  0  0  0
 30 22  1  0  0  0  0
 30 24  1  0  0  0  0
 31 22  2  0  0  0  0
 32 23  2  0  0  0  0
 15 33  1  1  0  0  0
 20 34  1  6  0  0  0
 24 35  1  1  0  0  0
M  END


  Mrv1652305152106282D          

 35 40  0  0  1  0            999 V2000
    5.6993    4.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9649   -0.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6622    2.8466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3093    2.9442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4369    3.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5674    2.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5325    3.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1879    3.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0879    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1228    1.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3566    3.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3637    3.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4675    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3027    2.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5854    0.2701    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2987    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7362    2.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9191    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2916    1.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8262    1.7351    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6504    1.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7612    0.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8541    0.9275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5833    1.2483    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4857    2.8954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5345    2.0718    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0950    2.3925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8152    0.9473    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0299    0.9651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3817    1.0402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3166   -0.3873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2336    0.1950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1408   -0.4248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2058    1.0026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6321    0.4247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  2  0  0  0  0
  8  6  2  0  0  0  0
  9  7  2  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 15  2  1  6  0  0  0
 16 10  2  0  0  0  0
 17 11  2  0  0  0  0
 18 12  2  0  0  0  0
 18 16  1  0  0  0  0
 19 13  2  0  0  0  0
 19 17  1  0  0  0  0
 20 14  1  0  0  0  0
 21 20  1  0  0  0  0
 22 15  1  0  0  0  0
 23 16  1  0  0  0  0
 25  3  1  0  0  0  0
 25  4  1  0  0  0  0
 25  5  1  0  0  0  0
 26 14  1  0  0  0  0
 26 17  1  0  0  0  0
 26 24  1  0  0  0  0
 26 25  1  1  0  0  0
 27 18  1  0  0  0  0
 27 21  2  0  0  0  0
 28 19  1  0  0  0  0
 28 24  1  0  0  0  0
 29 15  1  0  0  0  0
 29 21  1  0  0  0  0
 29 23  1  0  0  0  0
 30 20  1  0  0  0  0
 30 22  1  0  0  0  0
 30 24  1  0  0  0  0
 31 22  2  0  0  0  0
 32 23  2  0  0  0  0
 15 33  1  1  0  0  0
 20 34  1  6  0  0  0
 24 35  1  1  0  0  0
M  END
> <DATABASE_ID>
MMDBc0013087

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@@]12C[C@]3(C4=CC=CC=C4N[C@@]3([H])N1C(=O)[C@@]([H])(C)N1C(=O)C3=CC=CC=C3N=C21)C(C)(C)C=C

> <INCHI_IDENTIFIER>
InChI=1S/C26H26N4O2/c1-5-25(3,4)26-14-20-21-27-18-12-8-6-10-16(18)23(32)29(21)15(2)22(31)30(20)24(26)28-19-13-9-7-11-17(19)26/h5-13,15,20,24,28H,1,14H2,2-4H3/t15-,20+,24+,26-/m1/s1

> <INCHI_KEY>
DNOJISVGBFLJOQ-BXVKCURFSA-N

> <FORMULA>
C26H26N4O2

> <MOLECULAR_WEIGHT>
426.52

> <EXACT_MASS>
426.205576093

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
58

> <JCHEM_AVERAGE_POLARIZABILITY>
45.859801979971806

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,12R,15S,23R)-12-methyl-23-(2-methylbut-3-en-2-yl)-3,11,14,16-tetraazahexacyclo[12.10.0.0^{2,11}.0^{4,9}.0^{15,23}.0^{17,22}]tetracosa-2,4,6,8,17,19,21-heptaene-10,13-dione

> <ALOGPS_LOGP>
3.75

> <JCHEM_LOGP>
3.679480875666667

> <ALOGPS_LOGS>
-3.97

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
17.066891284483535

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.17203571624663

> <JCHEM_PKA_STRONGEST_BASIC>
2.512403735493827

> <JCHEM_POLAR_SURFACE_AREA>
65.01

> <JCHEM_REFRACTIVITY>
125.4048

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.54e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,12R,15S,23R)-12-methyl-23-(2-methylbut-3-en-2-yl)-3,11,14,16-tetraazahexacyclo[12.10.0.0^{2,11}.0^{4,9}.0^{15,23}.0^{17,22}]tetracosa-2,4,6,8,17,19,21-heptaene-10,13-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 15-MAY-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   15-MAY-21         0                                  
HETATM    1  C   UNK     0      10.639   7.632   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      16.734  -0.863   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.569   5.314   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      13.644   5.496   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      12.016   6.942   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      21.593   4.256   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.461   5.693   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      20.884   5.623   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.631   4.396   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      20.763   2.959   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.999   5.623   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      19.346   5.693   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.339   3.029   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      13.632   4.429   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      16.026   0.504   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      19.224   3.029   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      10.708   4.256   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      18.516   4.396   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       9.878   2.959   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      14.609   3.239   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      16.147   3.169   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      14.488   0.574   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      18.394   1.731   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      12.289   2.330   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      12.107   5.405   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      12.198   3.867   0.000  0.00  0.00           C+0
HETATM   27  N   UNK     0      16.977   4.466   0.000  0.00  0.00           N+0
HETATM   28  N   UNK     0      10.855   1.768   0.000  0.00  0.00           N+0
HETATM   29  N   UNK     0      16.856   1.801   0.000  0.00  0.00           N+0
HETATM   30  N   UNK     0      13.779   1.942   0.000  0.00  0.00           N+0
HETATM   31  O   UNK     0      13.658  -0.723   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      19.103   0.364   0.000  0.00  0.00           O+0
HETATM   33  H   UNK     0      15.196  -0.793   0.000  0.00  0.00           H+0
HETATM   34  H   UNK     0      15.317   1.872   0.000  0.00  0.00           H+0
HETATM   35  H   UNK     0      12.380   0.793   0.000  0.00  0.00           H+0
CONECT    1    5                                                            
CONECT    2   15                                                            
CONECT    3   25                                                            
CONECT    4   25                                                            
CONECT    5    1   25                                                       
CONECT    6    8   10                                                       
CONECT    7    9   11                                                       
CONECT    8    6   12                                                       
CONECT    9    7   13                                                       
CONECT   10    6   16                                                       
CONECT   11    7   17                                                       
CONECT   12    8   18                                                       
CONECT   13    9   19                                                       
CONECT   14   20   26                                                       
CONECT   15    2   22   29   33                                             
CONECT   16   10   18   23                                                  
CONECT   17   11   19   26                                                  
CONECT   18   12   16   27                                                  
CONECT   19   13   17   28                                                  
CONECT   20   14   21   30   34                                             
CONECT   21   20   27   29                                                  
CONECT   22   15   30   31                                                  
CONECT   23   16   29   32                                                  
CONECT   24   26   28   30   35                                             
CONECT   25    3    4    5   26                                             
CONECT   26   14   17   24   25                                             
CONECT   27   18   21                                                       
CONECT   28   19   24                                                       
CONECT   29   15   21   23                                                  
CONECT   30   20   22   24                                                  
CONECT   31   22                                                            
CONECT   32   23                                                            
CONECT   33   15                                                            
CONECT   34   20                                                            
CONECT   35   24                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   80    0
END

Synonyms

Not Available

Molecular Formula

C₂₆H₂₆N₄O₂

Average Mass

426.52

Monoisotopic Mass

426.205576093

IUPAC Name

(1S,12R,15S,23R)-12-methyl-23-(2-methylbut-3-en-2-yl)-3,11,14,16-tetraazahexacyclo[12.10.0.0^{2,11}.0^{4,9}.0^{15,23}.0^{17,22}]tetracosa-2,4,6,8,17,19,21-heptaene-10,13-dione

Traditional Name

(1S,12R,15S,23R)-12-methyl-23-(2-methylbut-3-en-2-yl)-3,11,14,16-tetraazahexacyclo[12.10.0.0^{2,11}.0^{4,9}.0^{15,23}.0^{17,22}]tetracosa-2,4,6,8,17,19,21-heptaene-10,13-dione

CAS Registry Number

Not Available

SMILES

[H][C@@]12C[C@]3(C4=CC=CC=C4N[C@@]3([H])N1C(=O)[C@@]([H])(C)N1C(=O)C3=CC=CC=C3N=C21)C(C)(C)C=C

InChI Identifier

InChI=1S/C26H26N4O2/c1-5-25(3,4)26-14-20-21-27-18-12-8-6-10-16(18)23(32)29(21)15(2)22(31)30(20)24(26)28-19-13-9-7-11-17(19)26/h5-13,15,20,24,28H,1,14H2,2-4H3/t15-,20+,24+,26-/m1/s1

InChI Key

DNOJISVGBFLJOQ-BXVKCURFSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrroloindoles. Pyrroloindoles are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Indole is a bicyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Pyrroloindoles

Direct Parent

Pyrroloindoles

Alternative Parents

Substituents

Pyrroloindole
Diazanaphthalene
Quinazoline
Indole
Dihydroindole
Pyrimidone
Pyrimidine
Benzenoid
Pyrrole
Pyrrolidine
Heteroaromatic compound
Tertiary carboxylic acid amide
Lactam
Carboxamide group
Carboxylic acid derivative
Azacycle
Amine
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Organonitrogen compound
Organic oxygen compound
Organic nitrogen compound
Carbonyl group
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.045 g/L	ALOGPS
logP	3.75	ALOGPS
logP	3.68	ChemAxon
logS	-4	ALOGPS
pKa (Strongest Acidic)	15.17	ChemAxon
pKa (Strongest Basic)	2.51	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	65.01 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	125.4 m³·mol⁻¹	ChemAxon
Polarizability	45.86 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Not Available

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

This table shows at most 5 pathways. For the full list of associated pathways:

See All Associated Bacterial Pathways

Name	SMPDB/PathBank	Species

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Eukaryota/Fungi	Ascomycota	1	Human feces	Metabolic reconstruction

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

C00052054

Chemspider ID

8223681

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10048118

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

References

Synthesis Reference

Not Available

General References

van Santen JA, Poynton EF, Iskakova D, McMann E, Alsup TA, Clark TN, Fergusson CH, Fewer DP, Hughes AH, McCadden CA, Parra J, Soldatou S, Rudolf JD, Janssen EM, Duncan KR, Linington RG: The Natural Products Atlas 2.0: a database of microbially-derived natural products. Nucleic Acids Res. 2022 Jan 7;50(D1):D1317-D1323. doi: 10.1093/nar/gkab941. [PubMed:34718710 ]

Showing metabocard for Ardeemin (MMDBc0013087)

MOL for #<Metabolite:0x00007f286ee72ed8>

3D MOL for #<Metabolite:0x00007f286ee72ed8>

3D SDF for #<Metabolite:0x00007f286ee72ed8>

3D-SDF for #<Metabolite:0x00007f286ee72ed8>

PDB for #<Metabolite:0x00007f286ee72ed8>

3D PDB for #<Metabolite:0x00007f286ee72ed8>

SMILES for #<Metabolite:0x00007f286ee72ed8>

INCHI for #<Metabolite:0x00007f286ee72ed8>

Structure for #<Metabolite:0x00007f286ee72ed8>

3D Structure for #<Metabolite:0x00007f286ee72ed8>