Structure Information
Structure

Compound Identification

SMILES

COC1=C2C=CC(C)(C)OC2=CC2=C1C1OC3=C(C=CC(O)=C3)C1CO2

InChIKey

InChIKey=OHJQLSXZAOJGEK-UHFFFAOYSA-N

Formula

C21H20O5

Mass

352.386

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

Furanoisoflavonoids

Intermediate Tree Nodes

Not available

Direct Parent

Pterocarpans

Alternative Parents

Isoflavanols Pyranochromenes 2,2-dimethyl-1-benzopyrans Coumarans Benzofurans Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Oxacyclic compounds Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoflavanol - Pterocarpan - Isoflavan - Pyranochromene - 2,2-dimethyl-1-benzopyran - Chromane - Benzopyran - 1-benzopyran - Coumaran - Benzofuran - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Ether - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pterocarpans. These are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids.

External Descriptors

LIPIDMAPS (LMPK12070097) : Pterocarpans

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