Compound Identification
SMILES
CC1=C(C)C(=O)C(C(CCCCCC(N)=O)C2=CC=CC=C2)=C(C)C1=O
InChIKey
InChIKey=CQZYCXXKRYBNLZ-UHFFFAOYSA-N
Formula
C22H27NO3
Mass
353.462
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 Fatty amides Benzene and substituted derivatives Primary carboxylic acid amides Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Dalbergione skeleton - Aromatic monoterpenoid - Monoterpenoid - Monocyclic monoterpenoid - Quinone - P-benzoquinone - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Fatty amide - Carboxamide group - Cyclic ketone - Primary carboxylic acid amide - Ketone - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen 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