Structure Information
Structure

Compound Identification

SMILES

CC(C)=CCC1=C(O)C=C(O)C(=C1)C1COC2=C(C1=O)C(O)=C1C=CC(C)(C)OC1=C2

InChIKey

InChIKey=BAKSOIVZFARRJC-UHFFFAOYSA-N

Formula

C25H26O6

Mass

422.477

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

Isoflavans

Intermediate Tree Nodes

Isoflavanones

Direct Parent

3'-prenylated isoflavanones

Alternative Parents

Isoflavanols Hydroxyisoflavonoids Pyranochromenes 2,2-dimethyl-1-benzopyrans Chromones Resorcinols Aryl alkyl ketones Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Vinylogous acids Oxacyclic compounds Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3'-prenylated isoflavanone - Isoflavanol - Hydroxyisoflavonoid - Pyranochromene - 2,2-dimethyl-1-benzopyran - Chromone - Chromane - Benzopyran - 1-benzopyran - Resorcinol - Aryl ketone - Aryl alkyl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Ketone - Organoheterocyclic compound - Oxacycle - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 3'-prenylated isoflavanones. These are isoflavanones featuring a C5-isoprenoid unit at the 3'-position.

External Descriptors

LIPIDMAPS (LMPK12050495) : Isoflavonoids

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