Compound Identification
SMILES
CCOC(=O)CCC(C1=CC=CC=C1)C1=C(C)C(=O)C(C)=C(C)C1=O
InChIKey
InChIKey=VSMXBEOOODVIPO-UHFFFAOYSA-N
Formula
C21H24O4
Mass
340.419
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 acid esters Benzene and substituted derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Dalbergione skeleton - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Quinone - P-benzoquinone - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Carboxylic acid ester - Cyclic ketone - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen 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