Structure Information
Structure

Compound Identification

SMILES

CO[C@H]1[C@@H](OC)C2=C(O[C@@H]1C1=CC(OC)=C(OC)C=C1)C=C(OC)C=C2

InChIKey

InChIKey=RCABCWRSNHSFDC-HSALFYBXSA-N

Formula

C20H24O6

Mass

360.406

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Flavonoids

Subclass

Flavans

Intermediate Tree Nodes

Not available

Direct Parent

Leucoanthocyanidins

Alternative Parents

7-O-methylated flavonoids 4-O-methylated flavonoids 4'-O-methylated flavonoids 3-O-methylated flavonoids 3'-O-methylated flavonoids Dimethoxybenzenes 1-benzopyrans Phenoxy compounds Anisoles Alkyl aryl ethers Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3p-methoxyflavonoid-skeleton - 3-methoxyflavonoid-skeleton - 4p-methoxyflavonoid-skeleton - 4-methoxyflavonoid-skeleton - 7-methoxyflavonoid-skeleton - Leucoanthocyanidin-skeleton - Chromane - Benzopyran - O-dimethoxybenzene - 1-benzopyran - Dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Ether - Dialkyl ether - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as leucoanthocyanidins. These are flavonoids consisting of a flavan (3,4-dihydro-2-phenyl-2H-1-benzopyran) moiety that carries two hydroxy groups at the C3- and C4-positions.

External Descriptors

LIPIDMAPS (LMPK12020184) : Flavans, Flavanols and Leucoanthocyanidins

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