Compound Identification
SMILES
COC1=C(OC)C(Cl)=C(C=CC(=O)N2CCC3(C2)CCN(CC3)C(=O)C2=CC=C(S2)C(C)=O)C=C1
InChIKey
InChIKey=OSYBHBQCNXCOFO-UHFFFAOYSA-N
Formula
C26H29ClN2O5S
Mass
517.04
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
Dimethoxybenzenes Azaspirodecane derivatives N-acylpiperidines Thiophene carboxamides Styrenes Phenoxy compounds 2-heteroaryl carboxamides Anisoles N-acylpyrrolidines Aryl alkyl ketones 2,5-disubstituted thiophenes Alkyl aryl ethers Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Azaspirodecane - N-acyl-piperidine - Thiophene carboxylic acid or derivatives - 2-heteroaryl carboxamide - Methoxybenzene - Thiophene carboxamide - Styrene - Aryl alkyl ketone - Aryl ketone - N-acylpyrrolidine - Phenol ether - Anisole - Phenoxy compound - Chlorobenzene - Halobenzene - 2,5-disubstituted thiophene - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperidine - Tertiary carboxylic acid amide - Pyrrolidine - Thiophene - Heteroaromatic compound - Carboxamide group - Ketone - Organoheterocyclic compound - Azacycle - Ether - Carboxylic acid derivative - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Organohalogen compound - Organic oxygen compound - Organochloride - 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