Compound Identification
SMILES
O=C(CCC(C1=CC=CC=C1)C1=CC(=O)C=CC1=O)N1CCSCC1
InChIKey
InChIKey=JARZLVQEAJWDBX-UHFFFAOYSA-N
Formula
C20H21NO3S
Mass
355.45
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
P-benzoquinones Thiomorpholines Benzene and substituted derivatives Tertiary carboxylic acid amides Dialkylthioethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dalbergione skeleton - P-benzoquinone - Quinone - Monocyclic benzene moiety - 1,4-thiazinane - Benzenoid - Tertiary carboxylic acid amide - Cyclic ketone - Ketone - Carboxamide group - Organoheterocyclic compound - Azacycle - Thioether - Carboxylic acid derivative - Dialkylthioether - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteromonocyclic 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