Compound Identification
SMILES
COC1=CC(\C=C\C(=O)OCC(=O)NC2=CC=CC=C2SC)=CC2=C1OCCO2
InChIKey
InChIKey=ZARSNSRAXHDARV-BQYQJAHWSA-N
Formula
C21H21NO6S
Mass
415.46
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
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Subclass
Hydroxycinnamic acids and derivatives
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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 Benzo-1,4-dioxanes Anilides Thiophenol ethers Styrenes N-arylamides Anisoles Alkyl aryl ethers Alkylarylthioethers Fatty acid esters Para dioxins Enoate esters Secondary carboxylic acid amides Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid ester - Coumaric acid or derivatives - Benzodioxane - Benzo-1,4-dioxane - Anilide - Phenol ether - Styrene - Thiophenol ether - N-arylamide - Aryl thioether - Anisole - Alkyl aryl ether - Alkylarylthioether - Fatty acid ester - Benzenoid - Fatty acyl - Para-dioxin - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Sulfenyl compound - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Thioether - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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