Compound Identification
SMILES
NC(=O)C1=C(NC(=O)COC(=O)C=CC2=CC3=C(OCO3)C=C2)SC2=C1CCC2
InChIKey
InChIKey=LUTCMEGTGYJKLA-UHFFFAOYSA-N
Formula
C20H18N2O6S
Mass
414.43
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 Benzodioxoles Thiophene carboxamides Styrenes N-arylamides Fatty acid esters Vinylogous amides Enoate esters Heteroaromatic compounds Primary carboxylic acid amides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Acetals Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid ester - Benzodioxole - Styrene - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - N-arylamide - Fatty acid ester - Fatty acyl - Benzenoid - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiophene - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Primary carboxylic acid amide - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - 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