Compound Identification
SMILES
COC1=C(OC)C(Cl)=CC(C=CC(=O)OCC(=O)NC2=C(C#N)C3=C(CCCC3)S2)=C1
InChIKey
InChIKey=GMMVFPJAWYBVFU-UHFFFAOYSA-N
Formula
C22H21ClN2O5S
Mass
460.93
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Cinnamic acids and derivatives
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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
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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 Styrenes Phenoxy compounds Anisoles N-arylamides Alkyl aryl ethers Fatty acid esters Chlorobenzenes Aryl chlorides Thiophenes Heteroaromatic compounds Enoate esters Secondary carboxylic acid amides Nitriles Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid ester - Coumaric acid or derivatives - O-dimethoxybenzene - Dimethoxybenzene - Styrene - Phenoxy compound - Anisole - Phenol ether - N-arylamide - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Fatty acid ester - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Fatty acyl - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiophene - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Nitrile - Monocarboxylic acid or derivatives - Carbonitrile - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organochloride - Organohalogen compound - Cyanide - 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