Structure Information
Structure

Compound Identification

SMILES

CC1(C)OC2=C(C=C1)C1=C(C=C2)C2OC3=CC4=C(OCO4)C=C3C2CO1

InChIKey

InChIKey=PAAJONLTKBLVPE-UHFFFAOYSA-N

Formula

C21H18O5

Mass

350.37

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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 Benzodioxoles Alkyl aryl ethers Benzenoids Oxacyclic compounds Acetals Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Pterocarpan - Isoflavanol - Isoflavan - Pyranochromene - 2,2-dimethyl-1-benzopyran - Chromane - Benzopyran - 1-benzopyran - Coumaran - Benzodioxole - Benzofuran - Alkyl aryl ether - Benzenoid - Ether - Acetal - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organic oxygen compound - Organooxygen 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 (LMPK12070046) : Pterocarpans

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