Compound Identification
SMILES
COC1=CC=CC(C=CC(=O)NC2=NC3=C(S2)C=C(C=C3)S(C)(=O)=O)=C1
InChIKey
InChIKey=UKLNIJYWVWQBJZ-UHFFFAOYSA-N
Formula
C18H16N2O4S2
Mass
388.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
-
Subclass
Hydroxycinnamic acids and derivatives
- Level 5 Coumaric acids and derivatives
-
Subclass
Hydroxycinnamic acids and derivatives
-
Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Coumaric acids and derivatives
Alternative Parents
Cinnamic acid amides Benzothiazoles Styrenes Phenoxy compounds Anisoles N-arylamides Methoxybenzenes Alkyl aryl ethers Thiazoles Sulfones Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid amide - 1,3-benzothiazole - Phenoxy compound - Anisole - Phenol ether - Styrene - Methoxybenzene - N-arylamide - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Sulfonyl - Sulfone - Heteroaromatic compound - Thiazole - Azole - Carboxamide group - Secondary carboxylic acid amide - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
External Descriptors
Not available