Compound Identification
SMILES
COC1=CC=C(CN2C(CC(C)=O)C3=C(C=C(C=CC(C)=O)C=C3)S2(=O)=O)C=C1
InChIKey
InChIKey=SZTBHILBIVLMMP-UHFFFAOYSA-N
Formula
C22H23NO5S
Mass
413.49
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
Benzothiazoles Styrenes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Organosulfonamides Enones Acryloyl compounds Ketones Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - 1,2-benzothiazole - Anisole - Phenoxy compound - Phenol ether - Styrene - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Alpha,beta-unsaturated ketone - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Acryloyl-group - Enone - Ketone - Ether - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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