Compound Identification
SMILES
COC(=O)C1=C(N)OC2=C(C=CC(O)=C2)C1C1=CC=C(Cl)C=C1
InChIKey
InChIKey=GIDIFIZTXWGSBR-UHFFFAOYSA-N
Formula
C17H14ClNO4
Mass
331.75
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Neoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Neoflavonoids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Neoflavonoids
Alternative Parents
1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids Chlorobenzenes Aryl chlorides Vinylogous esters Vinylogous amides Enoate esters Methyl esters Ketene acetals Oxacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Neoflavonoid skeleton - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous ester - Methyl ester - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Ketene acetal or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as neoflavonoids. These are compounds with a structure based on the 4-phenylchromene backbone.
External Descriptors
Not available