Showing metabocard for Okaramine H (MMDBc0009960)
Microbial
| Record Information | |||||||||||||
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| Version | 1.0 | ||||||||||||
| Status | Detected and Quantified | ||||||||||||
| Creation Date | 2021-05-15 02:18:41 UTC | ||||||||||||
| Update Date | 2022-08-12 19:58:39 UTC | ||||||||||||
| Metabolite ID | MMDBc0009960 | ||||||||||||
| Metabolite Identification | |||||||||||||
| Common Name | Okaramine H | ||||||||||||
| Description | (4S,12R,14R,17Z)-12-hydroxy-19,19-dimethyl-7-(3-methylbut-2-en-1-yl)-3,5,16,21-tetraazaheptacyclo[14.13.0.0³,¹⁴.0⁴,¹².0⁶,¹¹.0²⁰,²⁸.0²²,²⁷]nonacosa-1(29),6,8,10,17,20(28),22,24,26-nonaene-2,15-dione 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. Based on a literature review very few articles have been published on (4S,12R,14R,17Z)-12-hydroxy-19,19-dimethyl-7-(3-methylbut-2-en-1-yl)-3,5,16,21-tetraazaheptacyclo[14.13.0.0³,¹⁴.0⁴,¹².0⁶,¹¹.0²⁰,²⁸.0²²,²⁷]nonacosa-1(29),6,8,10,17,20(28),22,24,26-nonaene-2,15-dione. | ||||||||||||
| Structure |  | ||||||||||||
| Synonyms | Not Available | ||||||||||||
| Molecular Formula | C32H32N4O3 | ||||||||||||
| Average Mass | 520.633 | ||||||||||||
| Monoisotopic Mass | 520.247440906 | ||||||||||||
| IUPAC Name | Not Available | ||||||||||||
| Traditional Name | Not Available | ||||||||||||
| CAS Registry Number | Not Available | ||||||||||||
| SMILES | Not Available | ||||||||||||
| InChI Identifier | InChI=1S/C32H32N4O3/c1-18(2)12-13-19-8-7-10-22-26(19)34-30-32(22,39)17-25-28(37)35-15-14-31(3,4)27-21(16-24(35)29(38)36(25)30)20-9-5-6-11-23(20)33-27/h5-12,14-16,25,30,33-34,39H,13,17H2,1-4H3/b15-14-,24-16-/t25-,30+,32-/m1/s1 | ||||||||||||
| InChI Key | CNTMYVFPLVDMFY-HMTCQRMFSA-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 | ||||||||||||
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| Substituents |
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| Molecular Framework | Aromatic heteropolycyclic compounds | ||||||||||||
| External Descriptors | Not Available | ||||||||||||
| Functional Ontology | |||||||||||||
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| Physical Properties | |||||||||||||
| State | Expected Solid | ||||||||||||
| Predicted Properties | Not Available | ||||||||||||
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| Cellular Locations | Not Available | ||||||||||||
| Biospecimen Locations | Not Available | ||||||||||||
| Tissue Locations | Not Available | ||||||||||||
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| Pathways |
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| Pathways | This table shows at most 5 pathways. For the full list of associated pathways: See All Associated Bacterial Pathways
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| Metabolic Reactions | |||||||||||||
Reactions This table shows at most 20 reactions. For the full list of associated reactions: See All Associated Reactions
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| Health Effects and Bioactivity | |||||||||||||
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| HMDB ID | Not Available | ||||||||||||
| DrugBank ID | Not Available | ||||||||||||
| Phenol Explorer Compound ID | Not Available | ||||||||||||
| FooDB ID | Not Available | ||||||||||||
| KNApSAcK ID | Not Available | ||||||||||||
| Chemspider ID | 9015007 | ||||||||||||
| KEGG Compound ID | Not Available | ||||||||||||
| BioCyc ID | Not Available | ||||||||||||
| BiGG ID | Not Available | ||||||||||||
| Wikipedia Link | Not Available | ||||||||||||
| METLIN ID | Not Available | ||||||||||||
| PubChem Compound | 10839708 | ||||||||||||
| PDB ID | Not Available | ||||||||||||
| ChEBI ID | Not Available | ||||||||||||
| Food Biomarker Ontology | Not Available | ||||||||||||
| CMMC Knowledgebase | Not Available | ||||||||||||
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| Synthesis Reference | Not Available | ||||||||||||
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