Compound Identification
SMILES
COC1=C(OC)C=C(C=CC(=O)OCC(=O)NC2=CC(Cl)=C(F)C=C2)C=C1
InChIKey
InChIKey=SUIYPVJVAXWWBC-UHFFFAOYSA-N
Formula
C19H17ClFNO5
Mass
393.8
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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 Dimethoxybenzenes Anilides Styrenes Phenoxy compounds Anisoles N-arylamides Alkyl aryl ethers Fluorobenzenes Fatty acid esters Chlorobenzenes Aryl chlorides Aryl fluorides Enoate esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid ester - Dimethoxybenzene - O-dimethoxybenzene - Anilide - Phenol ether - Styrene - N-arylamide - Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Fatty acid ester - Fluorobenzene - Halobenzene - Chlorobenzene - Aryl halide - Benzenoid - Fatty acyl - Aryl chloride - Aryl fluoride - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organofluoride - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - 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