Compound Identification
SMILES
COC(=O)\C=C(/NCCCSC1=CC=CC=C1)C1=CC(OC)=C(OC)C=C1
InChIKey
InChIKey=QBUKTYGBEDKSNA-SDXDJHTJSA-N
Formula
C21H25NO4S
Mass
387.49
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 esters Dimethoxybenzenes Anisoles Thiophenol ethers Styrenes Phenoxy compounds Alkyl aryl ethers Alkylarylthioethers Fatty acid esters Vinylogous amides Enoate esters Methyl esters Enamines Dialkylamines Sulfenyl compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid ester - O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Methoxybenzene - Styrene - Thiophenol ether - Alkyl aryl ether - Alkylarylthioether - Fatty acid ester - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Vinylogous amide - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Carboxylic acid derivative - Sulfenyl compound - Secondary aliphatic amine - Enamine - Ether - Thioether - Monocarboxylic acid or derivatives - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur 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