Compound Identification
SMILES
COC1=CC=CC(C=CC(=O)OCC(=O)NC2=CC(C)=C(Br)C=C2)=C1OC
InChIKey
InChIKey=GSCHJULBKZZDDY-UHFFFAOYSA-N
Formula
C20H20BrNO5
Mass
434.286
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 Anilides Styrenes Anisoles Phenoxy compounds N-arylamides Alkyl aryl ethers Toluenes Bromobenzenes Fatty acid esters Aryl bromides Enoate esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Organic oxides Organobromides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid ester - O-dimethoxybenzene - Dimethoxybenzene - Anilide - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Styrene - N-arylamide - Alkyl aryl ether - Fatty acid ester - Halobenzene - Bromobenzene - Toluene - Aryl bromide - Aryl halide - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organic nitrogen compound - Organobromide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic oxygen 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