Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C1(C)CC(=O)OC2=C1C=CC1=CC=CC=C21

InChIKey

InChIKey=BFMFFDUNHZJCPR-UHFFFAOYSA-N

Formula

C21H18O3

Mass

318.372

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Neoflavonoids

Subclass

Neoflavans

Intermediate Tree Nodes

Not available

Direct Parent

Neoflavans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Neoflavan - Naphthopyranone - Naphthopyran - 3,4-dihydrocoumarin - Chromane - Benzopyran - Naphthalene - 1-benzopyran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyran - Lactone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as neoflavans. These are neoflavonoids with a structure based on a 3,4-dihydro-4-aryl-2H-1-benzopyran skeleton.

External Descriptors

Not available

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