Structure Information
Structure

Compound Identification

SMILES

CC(=C)C1CC2=C(O1)C=C1OC(=O)C3=C(OC4=CC5=C(OCO5)C=C34)C1=C2

InChIKey

InChIKey=KKHJPBHZHXWSPP-UHFFFAOYSA-N

Formula

C21H14O6

Mass

362.337

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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

Psoralens Angular furanocoumarins 1-benzopyrans Benzodioxoles Furopyrans Benzofurans Coumarans Pyranones and derivatives Alkyl aryl ethers Benzenoids Heteroaromatic compounds Furans Lactones Oxacyclic compounds Acetals Hydrocarbon derivatives Organic oxides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coumestan - Angular furanocoumarin - Furanocoumarin - Linear furanocoumarin - Psoralen - Coumarin - 1-benzopyran - Benzopyran - Benzodioxole - Benzofuran - Coumaran - Furopyran - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Furan - Lactone - Ether - Acetal - Oxacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - 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 (LMPK12090001) : Coumestan flavonoids

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