Compound Identification
SMILES
CCOC(=O)C1=C(C)C(C(=O)OCC)=C(CC(=O)C(=CC2=C(C)C=C(C=C2)N2CCCC2)C#N)S1
InChIKey
InChIKey=CXMXPPSAMZTSGB-UHFFFAOYSA-N
Formula
C27H30N2O5S
Mass
494.61
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
Phenylpyrrolidines Thiophene carboxylic acids and derivatives Aminotoluenes Aniline and substituted anilines Dialkylarylamines Alpha-branched alpha,beta-unsaturated ketones Acryloyl compounds Pyrroles Enones Heteroaromatic compounds Carboxylic acid esters Ketones Amino acids and derivatives Azacyclic compounds Nitriles Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - 1-phenylpyrrolidine - Tertiary aliphatic/aromatic amine - Thiophene carboxylic acid or derivatives - Dialkylarylamine - Aniline or substituted anilines - Aminotoluene - Toluene - Monocyclic benzene moiety - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Heteroaromatic compound - Enone - Pyrrole - Alpha,beta-unsaturated ketone - Thiophene - Pyrrolidine - Acryloyl-group - Carboxylic acid ester - Amino acid or derivatives - Ketone - Tertiary amine - Nitrile - Carbonitrile - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Cyanide - Carbonyl group - Organic oxygen compound - Amine - 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