Structure Information
Structure

Compound Identification

SMILES

COC1=CC(O)=CC2=C1O[C@H](C1=CC=C(OC[C@H](C)N3CC[C@@H](C)C3)C=C1)C(=C2C)C1=CC(O)=CC=C1

InChIKey

InChIKey=CIMVGCABLMRLNN-QMQXECRNSA-N

Formula

C31H35NO5

Mass

501.623

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

O-methylated isoflavonoids

Intermediate Tree Nodes

Not available

Direct Parent

8-O-methylated isoflavonoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

8-methoxyflavonoid-skeleton - 8-methoxyisoflavonoid-skeleton - 6-hydroxyflavonoid - Hydroxyflavonoid - Hydroxyisoflavonoid - Isoflav-3-ene skeleton - Flav-3-ene - Stilbene - Benzopyran - 1-benzopyran - Anisole - Phenol ether - Phenoxy compound - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Organoheterocyclic compound - Ether - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 8-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C8 atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one.

External Descriptors

Not available

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