Compound Identification
SMILES
CC1=C(C)C[C@@]2(C#N)[C@@H](C1)C1=CC=CC=C1OC2=O
InChIKey
InChIKey=JSNGISWDKCVFGH-XJKSGUPXSA-N
Formula
C16H15NO2
Mass
253.301
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class 3,4-dihydrocoumarins
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
3,4-dihydrocoumarins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
3,4-dihydrocoumarins
Alternative Parents
1-benzopyrans Benzenoids Lactones Carboxylic acid esters Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3,4-dihydrocoumarin - Chromane - Benzopyran - 1-benzopyran - Benzenoid - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Cyanide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3,4-dihydrocoumarins. These are 3,4-dihydrogenated coumarins. Coumarin is a bicyclic compound that a 1-benzopyran carrying an oxo group at the 2-position.
External Descriptors
Not available