Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C=CC2=C1OCC1C2OC2=CC3=C(OCO3)C=C12

InChIKey

InChIKey=UXAJJVDCDOFKCY-UHFFFAOYSA-N

Formula

C17H14O6

Mass

314.293

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

Furanoisoflavonoids

Intermediate Tree Nodes

Not available

Direct Parent

Pterocarpans

Alternative Parents

Isoflavanols 1-benzopyrans Coumarans Benzofurans Benzodioxoles Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Oxacyclic compounds Acetals Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoflavanol - Pterocarpan - Isoflavan - Chromane - Benzopyran - 1-benzopyran - Benzodioxole - Benzofuran - Coumaran - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Ether - Acetal - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pterocarpans. These are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids.

External Descriptors

LIPIDMAPS (LMPK12070081) : Pterocarpans

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