Compound Identification
SMILES
C=CCOC1=CC=C(\C=C\C(=O)N2CC[NH+](CC2)[C@@H]2CCS(=O)(=O)C2)C=C1
InChIKey
InChIKey=KGVPWHSZKZOMQO-KRZKXXONSA-O
Formula
C20H27N2O4S
Mass
391.51
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
Phenol ethers Phenoxy compounds Styrenes Alkyl aryl ethers N-alkylpiperazines Thiolanes Tertiary carboxylic acid amides Sulfones Quaternary ammonium salts Trialkylamines Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Phenol ether - Styrene - Phenoxy compound - Alkyl aryl ether - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - Quaternary ammonium salt - Thiolane - Tertiary carboxylic acid amide - Sulfone - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Ether - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organic cation - 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