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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Neoflavonoids
- Subclass Dalbergiones
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Class
Neoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Neoflavonoids
Subclass
Dalbergiones
Intermediate Tree Nodes
Not available
Direct Parent
Dalbergiones
Alternative Parents
Monocyclic monoterpenoids Aromatic monoterpenoids P-benzoquinones Aralkylamines Benzene and substituted derivatives Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
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