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Compound Summary

General Compound Information

Malvidin-3-glucoside

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Description

Malvidin 3-O-beta-D-glucoside is an anthocyanin cation consisting of malvidin having a beta-D-glucosyl residue attached at the 3-hydroxy position. It has a role as a metabolite. It is a beta-D-glucoside, an anthocyanin cation and an aromatic ether. It derives from a malvidin. It is a conjugate acid of a malvidin 3-O-beta-D-glucoside betaine.

Synonyms

Oenin; Malvidin 3-O-glucoside; Malvidin-3-glucoside; Enin; 18470-06-9;

Malvidin 3-Glucoside;CHEBI:31799;Enoside;Ligulin;(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;1-Benzopyrylium, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-;malvidin glucoside;CHEMBL403236;SCHEMBL6139047;DTXSID30332124;Q137147;5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenium-3-yl beta-D-glucopyranoside;5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1$l^{4}-chromen-1-ylium;

FlavorDB ID

4228

PUBCHEM ID

443652

Molecular Weight

493.4 Molecular Formula

C23H25O12+

Openeye Can Smiles

COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O

IUPAC Inchikey

PXUQTDZNOHRWLI-OXUVVOBNSA-O

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Compound Classification

Classification (Parent Nodes)

ClassyFire Ontology

Compound Quality

Quality information of this compound is not available!

Compound Toxicity and Food Additive Safety (OFAS)

Toxicity Summary
Link to the Distributed Structure-Searchable Toxicity (DSSTox) Database

Receptors

Receptor	REFERENCE	EC50 [µM]	Effective Concentration [µM]
TAS2R7	details	12.60	6.00

Consensus Spectra

Spectrum Type	Spectrum View	Description	Polarity
Experimental LCMS	view	LCMS_Positive	positive
Experimental LCMS	view	LCMS_Negative	negative

Content

Compound Summary

Malvidin-3-glucoside

Description

Synonyms

Oenin; Malvidin 3-O-glucoside; Malvidin-3-glucoside; Enin; 18470-06-9;

FlavorDB ID

4228

PUBCHEM ID

443652

Molecular Weight

493.4

Molecular Formula

C23H25O12+

Openeye Can Smiles

COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O

IUPAC Inchikey

PXUQTDZNOHRWLI-OXUVVOBNSA-O

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Shown in network

Similarity

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Reference Details

GC-MS Spectrum

GC-MS Spectrum