Compound Identification
SMILES
COC1=CC=C(C=CC(=O)C(C(O)=O)=C2SCS2)C=C1
InChIKey
InChIKey=OUOITKYNPPXIAK-UHFFFAOYSA-N
Formula
C14H12O4S2
Mass
308.37
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
Medium-chain keto acids and derivatives Styrenes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Heterocyclic fatty acids Beta-keto acids and derivatives Vinylogous thioesters Unsaturated fatty acids Beta-hydroxy ketones Acryloyl compounds Enones Ketene acetals Dithietanes Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Medium-chain keto acid - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Styrene - Heterocyclic fatty acid - Alkyl aryl ether - Beta-keto acid - Keto acid - Vinylogous thioester - Fatty acyl - Unsaturated fatty acid - Benzenoid - Monocyclic benzene moiety - Beta-hydroxy ketone - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Dithietane - Ketene acetal or derivatives - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Ether - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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