Structure Information
Structure

Compound Identification

SMILES

CC(C)(O)C1CC2=C(O1)C=C1OC3=C(C1=C2)C(=O)OC1=C3C=CC(O)=C1

InChIKey

InChIKey=PUGPPUXRVZRDGR-UHFFFAOYSA-N

Formula

C20H16O6

Mass

352.342

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

Coumestans

Intermediate Tree Nodes

Not available

Direct Parent

Coumestans

Alternative Parents

Angular furanocoumarins 1-benzopyrans Furopyrans Coumarans Benzofurans Pyranones and derivatives Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Tertiary alcohols Heteroaromatic compounds Furans Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coumestan - Furanocoumarin - Angular furanocoumarin - Coumarin - 1-benzopyran - Benzopyran - Furopyran - Coumaran - Benzofuran - Pyranone - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Pyran - Benzenoid - Furan - Tertiary alcohol - Heteroaromatic compound - Lactone - Oxacycle - Organoheterocyclic compound - Ether - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as coumestans. These are polycyclic aromatic compounds containing a coumestan moiety, which consists of a benzoxole fused to a chromen-2-one to form 1-Benzoxolo[3,2-c]chromen-6-one. They are oxidation products of pterocarpan.

External Descriptors

LIPIDMAPS (LMPK12090006) : Coumestan flavonoids

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