Compound Identification
SMILES
CCOC(=O)C1=C(NC(=O)COC(=O)C=CC2=CC3=C(OCO3)C=C2)SC(C)=C1C
InChIKey
InChIKey=PFHHDVKCSYIBJA-UHFFFAOYSA-N
Formula
C21H21NO7S
Mass
431.46
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 esters Benzodioxoles Thiophene carboxylic acids and derivatives Styrenes N-arylamides Fatty acid esters Dicarboxylic acids and derivatives Vinylogous amides Enoate esters Heteroaromatic compounds Secondary carboxylic acid amides Acetals Oxacyclic compounds Organopnictogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid ester - Benzodioxole - Styrene - Thiophene carboxylic acid or derivatives - N-arylamide - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Heteroaromatic compound - Thiophene - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - 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