Compound Identification
SMILES
OC(=O)C1=C(C=CC(=C1)N=C=S)C1C2C=CC(=O)C=C2OC2=CC=CC=C12
InChIKey
InChIKey=ZVMOUGRBCXQQPV-UHFFFAOYSA-N
Formula
C21H13NO4S
Mass
375.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Neoflavonoids
- Subclass Neoflavans
-
Class
Neoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Neoflavonoids
Subclass
Neoflavans
Intermediate Tree Nodes
Not available
Direct Parent
Neoflavans
Alternative Parents
Xanthenes Benzoic acids Benzoyl derivatives Vinylogous esters Isothiocyanates Cyclic ketones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Neoflavan - Dibenzopyran - Xanthene - Chromane - 1-benzopyran - Benzopyran - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Monocyclic benzene moiety - Benzenoid - Vinylogous ester - Isothiocyanate - Ketone - Cyclic ketone - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Oxacycle - Carboxylic acid - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as neoflavans. These are neoflavonoids with a structure based on a 3,4-dihydro-4-aryl-2H-1-benzopyran skeleton.
External Descriptors
Not available