Compound Identification
SMILES
CCCOC1=CC=CC=C1C=CC(=O)NC1=C(C(=O)OC)C2=C(CCCC2)S1
InChIKey
InChIKey=ZDSCIBCWAAXRBN-UHFFFAOYSA-N
Formula
C22H25NO4S
Mass
399.51
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
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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 Thiophene carboxylic acids and derivatives Styrenes Phenoxy compounds Phenol ethers N-arylamides Alkyl aryl ethers Vinylogous amides Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid amide - Coumaric acid or derivatives - Phenoxy compound - Phenol ether - Styrene - Thiophene carboxylic acid or derivatives - N-arylamide - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Vinylogous amide - Methyl ester - Thiophene - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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