Structure Information
Structure

Compound Identification

SMILES

Cl.CNCC(O)COC1=CC2=C(C=C1)C(CC(C)(C)O2)C1=CC=CC=C1

InChIKey

InChIKey=BSFPPUSJIGAFKU-UHFFFAOYSA-N

Formula

C21H28ClNO3

Mass

377.91

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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 - 2,2-dimethyl-1-benzopyran - Chromane - Benzopyran - 1-benzopyran - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - 1,2-aminoalcohol - Secondary alcohol - Oxacycle - Secondary aliphatic amine - Ether - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Hydrochloride - Organonitrogen compound - Organooxygen compound - Amine - 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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