Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C(OC)=C2C3=C(C4=CC5=C(OCO5)C=C4O3)C(=O)OC2=C1

InChIKey

InChIKey=POCRQIUFZUZJBZ-UHFFFAOYSA-N

Formula

C18H12O8

Mass

356.286

Export to:

JSON SDF CSV

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 Benzofurans Benzodioxoles Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Furans Lactones Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coumestan - Angular furanocoumarin - Furanocoumarin - Coumarin - Benzopyran - 1-benzopyran - Benzodioxole - Benzofuran - Furopyran - Anisole - Pyranone - Alkyl aryl ether - Benzenoid - Pyran - Furan - Heteroaromatic compound - Lactone - Organoheterocyclic compound - Oxacycle - Ether - Acetal - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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 (LMPK12090048) : Coumestan flavonoids

Previous Back Next