Structure Information
Structure

Compound Identification

SMILES

CCC1OC2OC3=C(C)C(O)=C(C)C4=C3C(C[C@@H](O4)C3=CC=C(OC)C=C3)OC2C(O)C1O

InChIKey

InChIKey=QCXFDMQUKXARQH-LJCRAMLRSA-N

Formula

C25H30O8

Mass

458.507

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Flavonoids

Subclass

O-methylated flavonoids

Intermediate Tree Nodes

Not available

Direct Parent

4'-O-methylated flavonoids

Alternative Parents

7-hydroxyflavonoids Flavans 1-benzopyrans Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Oxanes Monosaccharides Secondary alcohols 1,2-diols Oxacyclic compounds Dialkyl ethers Acetals Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

4p-methoxyflavonoid-skeleton - 7-hydroxyflavonoid - Hydroxyflavonoid - Flavan - Chromane - Benzopyran - 1-benzopyran - Methoxybenzene - Phenol ether - Anisole - Phenoxy compound - Alkyl aryl ether - Benzenoid - Oxane - Monosaccharide - Monocyclic benzene moiety - Secondary alcohol - 1,2-diol - Organoheterocyclic compound - Polyol - Acetal - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 4'-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C4' atom of the flavonoid backbone.

External Descriptors

LIPIDMAPS (LMPK12020167) : Flavans, Flavanols and Leucoanthocyanidins

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