Compound Identification
SMILES
COC1=CC=C(\C=C\C(=O)N2[C@@H]3C[C@@H]4CC[C@@]3(CS2(=O)=O)C4(C)C)C=C1
InChIKey
InChIKey=FWQDWPHDBOEWMI-HCIWPCHSSA-N
Formula
C20H25NO4S
Mass
375.48
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
Bicyclic monoterpenoids Aromatic monoterpenoids Styrenes Phenoxy compounds Methoxybenzenes Anisoles Gamma sultams Alkyl aryl ethers Organosulfonic acids and derivatives Carboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Aromatic monoterpenoid - Norbornane monoterpenoid - Bornane monoterpenoid - Monoterpenoid - Phenoxy compound - Anisole - Methoxybenzene - Styrene - Phenol ether - Alkyl aryl ether - Gamma-sultam - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen 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