Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(\C=C\C(=O)OC[C@H]2O[C@@H](OC3=C4C[C@H](O)[C@H](OC4=CC(OC)=C3)C3=CC(OC)=C(OC)C=C3)[C@H](OC(=O)\C=C\C3=CC(OC)=C(OC)C=C3)[C@@H](O)[C@@H]2O)C=C1

InChIKey

InChIKey=DYGAQCFVQOVNTE-KXDFWTBOSA-N

Formula

C45H48O16

Mass

844.863

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Flavonoids

Subclass

Flavonoid glycosides

Intermediate Tree Nodes

Flavonoid O-glycosides

Direct Parent

Flavonoid 5-O-p-coumaroyl glycosides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Flavonoid 5-o-6-p-coumaroyl-glycoside - Catechin - 3p-methoxyflavonoid-skeleton - 4p-methoxyflavonoid-skeleton - 7-methoxyflavonoid-skeleton - 3-hydroxyflavonoid - Hydroxyflavonoid - Flavan-3-ol - Flavan - Phenolic glycoside - Coumaric acid or derivatives - Cinnamic acid or derivatives - Cinnamic acid ester - Glycosyl compound - O-glycosyl compound - O-dimethoxybenzene - Dimethoxybenzene - Chromane - 1-benzopyran - Benzopyran - Anisole - Phenol ether - Phenoxy compound - Styrene - Methoxybenzene - Fatty acid ester - Alkyl aryl ether - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Oxane - Dicarboxylic acid or derivatives - Monosaccharide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Acetal - Ether - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as flavonoid 5-o-p-coumaroyl glycosides. These are flavonoid 5-O-glycosides where the carbohydrate moiety is esterified with a p-coumaric acid. P-coumaric acid is an organic derivative of cinnamic acid, that carries a hydroxyl group at the 4-position of the benzene ring.

External Descriptors

Not available

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