Compound Identification
SMILES
COC(=O)C1=C(N)OC2=C(C=CC(O)=C2)C1C1=CC=C(OCC2=CC=CC=C2C#N)C=C1
InChIKey
InChIKey=JVYOUQDORSRZEQ-UHFFFAOYSA-N
Formula
C25H20N2O5
Mass
428.444
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 Phenoxy compounds Phenol ethers Benzonitriles 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Vinylogous esters Vinylogous amides Enoate esters Methyl esters Ketene acetals Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Organopnictogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Neoflavonoid skeleton - 1-benzopyran - Benzopyran - Phenol ether - Phenoxy compound - Benzonitrile - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Methyl ester - Vinylogous ester - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Ketene acetal or derivatives - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Oxacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organopnictogen compound - Cyanide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - 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