Compound Identification
SMILES
CC1=CC(Cl)=C(OCCOC2=CC=C(C=C2)C2=C([C@H]3CN(C[C@@H](C2)N3)C(=O)CCCC(O)=O)C(=O)N(CC2=CC=CC=C2CCO)C2CC2)C=C1C
InChIKey
InChIKey=ZSGUUJHMZLUDCA-RRTCDKLQSA-N
Formula
C41H48ClN3O7
Mass
730.3
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
o-Xylenes Phenoxy compounds Phenol ethers Alkyl aryl ethers Chlorobenzenes Piperazines Aryl chlorides Tertiary carboxylic acid amides Amino acids Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Dialkylamines Carbonyl compounds Organochlorides Organic oxides Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Phenoxy compound - O-xylene - Xylene - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - Tertiary carboxylic acid amide - Amino acid or derivatives - Amino acid - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Azacycle - Secondary aliphatic amine - Organoheterocyclic compound - Ether - Secondary amine - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organooxygen compound - Primary alcohol - Amine - Carbonyl group - Organonitrogen compound - Alcohol - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organohalogen 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