Structure Information
Structure

Compound Identification

SMILES

Cl.CC1=C(C)C(=O)C(C(CCN)C2=CC=CC=C2)=C(C)C1=O

InChIKey

InChIKey=CTIQURKHZSIZDE-UHFFFAOYSA-N

Formula

C18H22ClNO2

Mass

319.83

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Neoflavonoids

Subclass

Dalbergiones

Intermediate Tree Nodes

Not available

Direct Parent

Dalbergiones

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Dalbergione skeleton - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - P-benzoquinone - Quinone - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Ketone - Cyclic ketone - Primary amine - Hydrochloride - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as dalbergiones. These are quinone derivatives containing a dalbergione moiety, which consists of a 1-4 quinone conjugated to a phenyl group at ring carbon 2.

External Descriptors

Not available

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