Compound Identification
SMILES
COC1=CC=CC=C1\C=C\C(=O)O[C@@H](C)C(=O)NC1=C(Cl)C=CC(Cl)=C1
InChIKey
InChIKey=LEQVFNPCYQDQPL-PMDBQALLSA-N
Formula
C19H17Cl2NO4
Mass
394.25
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
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
-
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 Anilides Styrenes Phenoxy compounds N-arylamides Methoxybenzenes Anisoles Dichlorobenzenes Alkyl aryl ethers Fatty acid esters Aryl chlorides Enoate esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid ester - Anilide - 1,4-dichlorobenzene - Phenol ether - Styrene - N-arylamide - Phenoxy compound - Anisole - Methoxybenzene - Chlorobenzene - Alkyl aryl ether - Halobenzene - Fatty acid ester - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen 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