Compound Identification
SMILES
CSCCC(NC(=O)COC1=CC2=C(C=C1)C(=CC(=O)O2)C1=CC=CC=C1)C(O)=O
InChIKey
InChIKey=YWBXLSJSEFUEKN-UHFFFAOYSA-N
Formula
C22H21NO6S
Mass
427.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Neoflavonoids
- Subclass Neoflavones
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Class
Neoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Neoflavonoids
Subclass
Neoflavones
Intermediate Tree Nodes
Not available
Direct Parent
Neoflavones
Alternative Parents
Methionine and derivatives N-acyl-alpha amino acids Coumarins and derivatives 1-benzopyrans Pyranones and derivatives Alkyl aryl ethers Thia fatty acids Benzene and substituted derivatives Heteroaromatic compounds Secondary carboxylic acid amides Lactones Oxacyclic compounds Carboxylic acids Dialkylthioethers Sulfenyl compounds Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylcoumarin - Methionine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Coumarin - Alpha-amino acid or derivatives - Benzopyran - 1-benzopyran - Alkyl aryl ether - Pyranone - Thia fatty acid - Benzenoid - Fatty acyl - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Lactone - Carboxamide group - Secondary carboxylic acid amide - Dialkylthioether - Organoheterocyclic compound - Thioether - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Ether - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as neoflavones. These are neoflavonoids with a structure based on the 4-phenylcoumarin skeleton.
External Descriptors
Not available