Compound Identification
SMILES
COC(=O)C(Br)=CC1=CC(OC)=C(OC)C=C1
InChIKey
InChIKey=YCFDSALVJMOAFY-UHFFFAOYSA-N
Formula
C12H13BrO4
Mass
301.136
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 Phenoxy compounds Anisoles Alkyl aryl ethers Fatty acid esters Alpha-halocarboxylic acid derivatives Methyl esters Enoate esters Vinyl bromides Monocarboxylic acids and derivatives Bromoalkenes Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid ester - O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Phenol ether - Methoxybenzene - Anisole - Alkyl aryl ether - Fatty acid ester - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Alpha-halocarboxylic acid or derivatives - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Alpha-halocarboxylic acid derivative - Carboxylic acid ester - Bromoalkene - Haloalkene - Carboxylic acid derivative - Vinyl halide - Vinyl bromide - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Carbonyl group - Organohalogen compound - Organobromide - 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