Compound Identification
SMILES
COC(=O)C1=CC2=C(OCC=C2C2=C(C)C=C(C=C2)C#N)C=C1
InChIKey
InChIKey=BODWMGRERGLRPG-UHFFFAOYSA-N
Formula
C19H15NO3
Mass
305.333
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Neoflavonoids
- Subclass Neoflavenes
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Class
Neoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Neoflavonoids
Subclass
Neoflavenes
Intermediate Tree Nodes
Not available
Direct Parent
Neoflavenes
Alternative Parents
1-benzopyrans Benzonitriles Toluenes Alkyl aryl ethers Methyl esters Oxacyclic compounds Nitriles Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Neoflavene - Benzopyran - 1-benzopyran - Benzonitrile - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Benzenoid - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Ether - Oxacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Cyanide - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as neoflavenes. These are neoflavonoids with a structure based on a 4-phenylchromene skeleton.
External Descriptors
Not available