Compound Identification
SMILES
CC1=C(C)C(=O)C(C(CCCCCC(=O)NCC(O)=O)C2=CC=CC=C2)=C(C)C1=O
InChIKey
InChIKey=VRLMSNHJNCAGMC-UHFFFAOYSA-N
Formula
C24H29NO5
Mass
411.498
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
N-acyl-alpha amino acids Monocyclic monoterpenoids Aromatic monoterpenoids P-benzoquinones N-acyl amines Benzene and substituted derivatives Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Dalbergione skeleton - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Alpha-amino acid or derivatives - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Quinone - P-benzoquinone - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Fatty amide - N-acyl-amine - Carboxamide group - Cyclic ketone - Ketone - Secondary carboxylic acid amide - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organooxygen 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