MiMeDB: Showing metabocard for Kaempferitrin (MMDBc0013484)

Microbial

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-05-15 04:47:34 UTC

Update Date

2022-08-27 06:44:59 UTC

Metabolite ID

MMDBc0013484

Metabolite Identification

Common Name

Kaempferitrin

Description

Kaempferitrin, also known as lespenefril or lespedin, belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Thus, kaempferitrin is considered to be a flavonoid. Kaempferitrin is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a significant number of articles have been published on Kaempferitrin.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
3,7-Bis((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	ChEBI
Kaempferol 3,7-bisrhamnoside	ChEBI
Kaempferol 3,7-dirhamnoside	ChEBI
Kaempferol 3-O-alpha-L-rhamnopyranosyl-7-O-alpha-L-rhamnopyranoside	ChEBI
Kaempferol-3,7-O-alpha-L-dirhamnoside	ChEBI
Kaempferol-dirhamnoside	ChEBI
Lespedin	ChEBI
Lespenefril	ChEBI
Lespenephril	ChEBI
Lespenephryl	ChEBI
3,7-Bis((6-deoxy-a-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	Generator
3,7-Bis((6-deoxy-α-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	Generator
Kaempferol 3-O-a-L-rhamnopyranosyl-7-O-a-L-rhamnopyranoside	Generator
Kaempferol 3-O-α-L-rhamnopyranosyl-7-O-α-L-rhamnopyranoside	Generator
Kaempferol-3,7-O-a-L-dirhamnoside	Generator
Kaempferol-3,7-O-α-L-dirhamnoside	Generator
3,7-Bis-(alpha-6-deoxymannopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one	HMDB
Kaempferol 3,7-di-O-a-L-rhamnoside	HMDB
Kaempferol 3,7-di-O-α-L-rhamnoside	HMDB
3,4',5,7-Tetrahydroxyflavone 3,7-dirhamnoside	HMDB
3,4’,5,7-tetrahydroxyflavone 3,7-dirhamnoside	HMDB
Grosvenorine II	HMDB
Kaempferol 3-O-alpha-L-rhamnopyranoside 7-O-alpha-L-rhamnopyranoside	HMDB
Kaempferol 3-O-α-L-rhamnopyranoside 7-O-α-L-rhamnopyranoside	HMDB
Kaempferol 3,7-di-alpha-L-rhamnoside	HMDB
Kaempferol 3,7-di-α-L-rhamnoside	HMDB
Kaempferol 3,7-di-alpha-L-rhamnopyranoside	HMDB
Kaempferol 3,7-di-α-L-rhamnopyranoside	HMDB
Kaempferol 3,7-di-O-alpha-L-rhamnopyranoside	HMDB
Kaempferol 3,7-di-O-α-L-rhamnopyranoside	HMDB
Kaempferol 3,7-O-alpha-L-dirhamnoside	HMDB
Kaempferol 3,7-O-α-L-dirhamnoside	HMDB
Kaempferol 3,7-di-O-rhamnopyranoside	HMDB
Kaempferol 3,7-di-O-rhamnoside	HMDB
Kaempferol 3-O-rhamnoside 7-O-rhamnoside	HMDB
Kaempferol-3,7-O-dirhamnose	HMDB
Kaempferitrin	ChEBI

Molecular Formula

C₂₇H₃₀O₁₄

Average Mass

578.523

Monoisotopic Mass

578.163555646

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1

InChI Key

PUPKKEQDLNREIM-QNSQPKOQSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-7-O-glycosides

Alternative Parents

Substituents

Flavonoid-3-o-glycoside
Flavonoid-7-o-glycoside
Hydroxyflavonoid
Flavone
5-hydroxyflavonoid
4'-hydroxyflavonoid
Phenolic glycoside
Hexose monosaccharide
Chromone
Glycosyl compound
O-glycosyl compound
Benzopyran
1-benzopyran
Pyranone
Phenol
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Pyran
Benzenoid
Oxane
Monosaccharide
Monocyclic benzene moiety
Heteroaromatic compound
Vinylogous acid
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Acetal
Polyol
Organic oxide
Organic oxygen compound
Hydrocarbon derivative
Alcohol
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

dihydroxyflavone (CHEBI:68883 )
glycosyloxyflavone (CHEBI:68883 )
alpha-L-rhamnoside (CHEBI:68883 )
Flavones and Flavonols (C16981 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

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		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

HMDB0037438

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

C00005189

Chemspider ID

4588900

KEGG Compound ID

C16981

BioCyc ID

kaempferol-3-rhamnoside-7-rhamnoside

BiGG ID

Not Available

Wikipedia Link

Kaempferitrin

METLIN ID

Not Available

PubChem Compound

5486199

PDB ID

Not Available

ChEBI ID

68883

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

References

Synthesis Reference

Not Available

General References

Yannai, Shmuel (2004). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. Boca Raton: Chapman & Hall/CRC..

Showing metabocard for Kaempferitrin (MMDBc0013484)

MOL for #<Metabolite:0x00007f6d7ce226d8>

3D MOL for #<Metabolite:0x00007f6d7ce226d8>

3D SDF for #<Metabolite:0x00007f6d7ce226d8>

3D-SDF for #<Metabolite:0x00007f6d7ce226d8>

PDB for #<Metabolite:0x00007f6d7ce226d8>

3D PDB for #<Metabolite:0x00007f6d7ce226d8>

SMILES for #<Metabolite:0x00007f6d7ce226d8>

INCHI for #<Metabolite:0x00007f6d7ce226d8>

Structure for #<Metabolite:0x00007f6d7ce226d8>

3D Structure for #<Metabolite:0x00007f6d7ce226d8>