Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC(OC)=C1)C1CCC2=C(O)C=C(OC)C=C2O1

InChIKey

InChIKey=RZUPNNLCPKZXDD-UHFFFAOYSA-N

Formula

C18H20O5

Mass

316.353

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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

7-O-methylated flavonoids

Alternative Parents

3'-O-methylated flavonoids 5-hydroxyflavonoids Flavans Dimethoxybenzenes 1-benzopyrans Phenoxy compounds Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxacyclic compounds Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3p-methoxyflavonoid-skeleton - 7-methoxyflavonoid-skeleton - 5-hydroxyflavonoid - Hydroxyflavonoid - Flavan - Chromane - Benzopyran - M-dimethoxybenzene - Dimethoxybenzene - 1-benzopyran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Benzenoid - Oxacycle - Ether - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone.

External Descriptors

LIPIDMAPS (LMPK12020260) : Flavans, Flavanols and Leucoanthocyanidins

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