Structure Information
Structure

Compound Identification

SMILES

OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O.OC1=CC2=C(C=C1)C1=C(O2)C2=C(OC1=O)C=C(O)C=C2

InChIKey

InChIKey=MNVDENKDYHJLFF-UHFFFAOYSA-N

Formula

C30H18O10

Mass

538.464

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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

Isoflavones Hydroxyisoflavonoids Angular furanocoumarins Chromones Furopyrans Benzofurans Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzene and substituted derivatives Vinylogous acids Heteroaromatic compounds Furans Lactones Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds

Molecular Framework

Not available

Substituents

Coumestan - Hydroxyisoflavonoid - Isoflavone - Angular furanocoumarin - Furanocoumarin - Chromone - Coumarin - Benzopyran - 1-benzopyran - Benzofuran - Furopyran - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Vinylogous acid - Furan - Heteroaromatic compound - Lactone - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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

Not available

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