Compound Identification
SMILES
CC1=C(OC(=O)CN2CSCC2=O)C=CC2=C1OC(=O)C=C2C1=CC=CC=C1
InChIKey
InChIKey=QUWYXDOLIXKGTR-UHFFFAOYSA-N
Formula
C21H17NO5S
Mass
395.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Neoflavonoids
- Subclass Neoflavones
-
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
Alpha amino acid esters Coumarins and derivatives 1-benzopyrans Phenol esters Pyranones and derivatives Benzene and substituted derivatives Thiazolidines Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Carboxylic acid esters Lactams Lactones Dialkylthioethers Thiohemiaminal derivatives Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylcoumarin - Alpha-amino acid ester - Coumarin - Alpha-amino acid or derivatives - Benzopyran - Phenol ester - 1-benzopyran - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Thiazolidine - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Tertiary amine - Carboxylic acid ester - Lactam - Lactone - Dialkylthioether - Organoheterocyclic compound - Hemithioaminal - Thioether - Carboxylic acid derivative - Azacycle - Oxacycle - Monocarboxylic acid or derivatives - Amine - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organooxygen compound - Organonitrogen 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