Compound Identification
SMILES
COC1=CC=CC(\C=C\C(=O)OCC(=O)NC2=CC(=CC=C2)S(N)(=O)=O)=C1
InChIKey
InChIKey=QEVWSTQFHGYLPE-CMDGGOBGSA-N
Formula
C18H18N2O6S
Mass
390.41
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 esters Benzenesulfonamides Anilides Benzenesulfonyl compounds Styrenes Anisoles Phenoxy compounds Methoxybenzenes N-arylamides Fatty acid esters Alkyl aryl ethers Organosulfonamides Enoate esters Aminosulfonyl compounds Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid ester - Benzenesulfonamide - Benzenesulfonyl group - Anilide - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Styrene - N-arylamide - Alkyl aryl ether - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Organosulfonic acid amide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Aminosulfonyl compound - Sulfonyl - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Organooxygen compound - Aromatic homomonocyclic 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