Compound Identification
SMILES
COC1=CC=C(C=CC(=O)C2=C(C)N=C(S2)N2N=C(C=C2C2=CC=CC=C2)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=APGCCQBKJYTXGG-UHFFFAOYSA-N
Formula
C29H23N3O2S
Mass
477.58
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
Phenylpyrazoles Styrenes Phenoxy compounds Methoxybenzenes Aryl ketones Anisoles 2,4,5-trisubstituted thiazoles Alkyl aryl ethers Heteroaromatic compounds Enones Acryloyl compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Phenylpyrazole - 2,4,5-trisubstituted 1,3-thiazole - Anisole - Phenol ether - Phenoxy compound - Styrene - Aryl ketone - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Enone - Azole - Acryloyl-group - Pyrazole - Thiazole - Ketone - Ether - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic 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