Compound Identification
SMILES
COC1=CC=C(C=C1)C1N(C2=NC3=C(C)C=C(C)C=C3S2)C(=O)C(O)=C1C(=O)C=CC1=CC=CC=C1
InChIKey
InChIKey=OSHAWXFUJAVOEY-UHFFFAOYSA-N
Formula
C29H24N2O4S
Mass
496.58
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
Phenylpyrrolines Benzothiazoles Styrenes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Vinylogous acids Thiazoles Tertiary carboxylic acid amides Pyrroles Acryloyl compounds Enones Heteroaromatic compounds Lactams Ketones Azacyclic compounds Enols Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - 2-phenylpyrroline - 1,3-benzothiazole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Styrene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Azole - Heteroaromatic compound - Enone - Pyrrole - Pyrroline - Vinylogous acid - Tertiary carboxylic acid amide - Thiazole - Alpha,beta-unsaturated ketone - Lactam - Ketone - Carboxamide group - Ether - Enol - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - 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