Structure Information
Structure

Compound Identification

SMILES

OC1=CC=C(C=C1)C1C(C(=O)OC2=CC=CC=C12)C1=CC=CC=C1

InChIKey

InChIKey=BMYSDFHTXGRHBZ-UHFFFAOYSA-N

Formula

C21H16O3

Mass

316.356

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

3-arylcoumarin flavonoids

Intermediate Tree Nodes

Not available

Direct Parent

3-arylcoumarin flavonoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3-arylcoumarin flavonoid - Neoflavonoid skeleton - Neoflavan - Isoflavan - Stilbene - 3,4-dihydrocoumarin - 1-benzopyran - Benzopyran - Chromane - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 3-arylcoumarin flavonoids. These are isoflavonoids that bear a ketone group at the C2-position.

External Descriptors

Not available

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