Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=QKIMKWTXCITOEA-UHFFFAOYSA-N

Formula

C17H10O7

Mass

326.26

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 Benzodioxoles Benzofurans Anisoles Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Heteroaromatic compounds Furans Lactones Acetals Oxacyclic compounds Hydrocarbon derivatives Organic oxides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coumestan - Angular furanocoumarin - Furanocoumarin - Coumarin - Benzopyran - 1-benzopyran - Benzodioxole - Benzofuran - Furopyran - Anisole - Pyranone - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Pyran - Benzenoid - Furan - Heteroaromatic compound - Lactone - Organoheterocyclic compound - Ether - Oxacycle - Acetal - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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 (LMPK12090033) : Coumestan flavonoids

Previous Back Next