Compound Identification
SMILES
COC1=C(OCC(C)C)C=C(\C=C\C(=O)C2=CC=C(S2)C(O)=O)C=C1
InChIKey
InChIKey=UVERABBZLFTLGI-GQCTYLIASA-N
Formula
C19H20O5S
Mass
360.42
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
Thiophene carboxylic acids Styrenes Phenoxy compounds Methoxybenzenes Aryl ketones Anisoles Alkyl aryl ethers 2,5-disubstituted thiophenes Heteroaromatic compounds Enones Acryloyl compounds Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Anisole - Phenoxy compound - Phenol ether - Styrene - Thiophene carboxylic acid - Thiophene carboxylic acid or derivatives - Aryl ketone - Methoxybenzene - 2,5-disubstituted thiophene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Thiophene - Heteroaromatic compound - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Ketone - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Ether - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - 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