Structure Information
Structure

Compound Identification

SMILES

C[C@@H](NCCC[C@H]1C[C@@H](C2=CC=C(C=C2)C(O)=O)C2=CC=CC=C2O1)C1=CC=C(F)C2=CC=CC=C12

InChIKey

InChIKey=YTXORNHGIVIWCJ-CRDCFYADSA-N

Formula

C31H30FNO3

Mass

483.583

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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 - Chromane - Benzopyran - Naphthalene - 1-benzopyran - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Aralkylamine - Alkyl aryl ether - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Amino acid or derivatives - Amino acid - Oxacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Ether - Organic nitrogen compound - Amine - Organofluoride - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - 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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