Compound Identification
SMILES
COC1=CC(OC)=CC(CN(C2CC2)C(=O)C2=C(C[C@@H]3CN(C[C@H]2N3)C(=O)CCCC(O)=O)C2=CC=C(CCOC3=CC(C)=CC(C)=C3C)C=C2)=C1
InChIKey
InChIKey=KKVLSLRSXSBLRF-WECIHKQLSA-N
Formula
C42H51N3O7
Mass
709.884
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 Phenoxy compounds Anisoles Alkyl aryl ethers Piperazines Tertiary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - M-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - 1,4-diazinane - Piperazine - Tertiary carboxylic acid amide - Amino acid or derivatives - Amino acid - Carboxamide group - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Secondary aliphatic amine - Secondary amine - Ether - Monocarboxylic acid or derivatives - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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