Compound Identification
SMILES
C[C@@H](O)C1=CC(Cl)=C(O[C@H]2CCN(C2)C2=CC=C(C=C2)C2=C([C@@H]3CNC[C@H](C2)N3)C(=O)N(CC2=C(Cl)C(Cl)=CC=C2)C2CC2)C(Cl)=C1
InChIKey
InChIKey=JLBYIMRJMDTKRM-ABIFQMIMSA-N
Formula
C36H38Cl4N4O3
Mass
716.53
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 Phenoxy compounds Phenol ethers Aniline and substituted anilines Dichlorobenzenes Dialkylarylamines Alkyl aryl ethers Piperazines Aryl chlorides Tertiary carboxylic acid amides Pyrroles Secondary alcohols Amino acids and derivatives Dialkylamines Azacyclic compounds Organochlorides Aromatic alcohols Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - 1-phenylpyrrolidine - Phenol ether - Phenoxy compound - Tertiary aliphatic/aromatic amine - 1,2-dichlorobenzene - Aniline or substituted anilines - Dialkylarylamine - 1,3-dichlorobenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Piperazine - Aryl halide - Aryl chloride - 1,4-diazinane - Monocyclic benzene moiety - Benzenoid - Pyrrolidine - Pyrrole - Tertiary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Secondary alcohol - Carboxamide group - Secondary aliphatic amine - Ether - Secondary amine - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Alcohol - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen 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