Compound Identification
SMILES
CN1C=C2C=CC(=CC2=N1)[C@@]1(C)N=C(N)N(C)C(=O)[C@@H]1C(CC(=O)\C=C\C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=OTNBAJVRUQIKJE-PGFRMLFESA-N
Formula
C31H31N5O2
Mass
505.622
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids and derivatives
Alternative Parents
Indazoles Styrenes Hydropyrimidines Pyrazoles Acryloyl compounds Heteroaromatic compounds Enones Ketones Guanidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids and derivatives Carboximidamides Hydrocarbon derivatives Amines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Benzopyrazole - Indazole - Styrene - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - 1,4,5,6-tetrahydropyrimidine - Acryloyl-group - Azole - Heteroaromatic compound - Enone - Alpha,beta-unsaturated ketone - Pyrazole - Guanidine - Ketone - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Amine - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available