Structure Information
Structure

Compound Identification

SMILES

CC(C)=CCC\C(C)=C\CC1=C(O)C=C2OC(=O)C3=C(OC4=C3C=CC(O)=C4)C2=C1

InChIKey

InChIKey=CGMGCGYLRFAMQF-VIZOYTHASA-N

Formula

C25H24O5

Mass

404.462

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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

Terpene lactones Angular furanocoumarins Aromatic monoterpenoids 1-benzopyrans Furopyrans Benzofurans Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Furans Lactones Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coumestan - Terpene lactone - Angular furanocoumarin - Furanocoumarin - Coumarin - Aromatic monoterpenoid - Benzopyran - 1-benzopyran - Monoterpenoid - Benzofuran - Furopyran - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Pyran - Benzenoid - Furan - Heteroaromatic compound - Lactone - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organic oxide - 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 (LMPK12090011) : Coumestan flavonoids

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