Compound Identification
SMILES
COC1=C(C(Br)=C(C)C(O)=O)C2=CC=CC=C2C=C1
InChIKey
InChIKey=YAVPQDYQVKSZPX-UHFFFAOYSA-N
Formula
C15H13BrO3
Mass
321.17
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
- Level 6 Coumaric acids
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Level 5
Coumaric acids and derivatives
-
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
Coumaric acids and derivatives
Direct Parent
Coumaric acids
Alternative Parents
Cinnamic acids Naphthalenes Anisoles Alkyl aryl ethers Vinylogous halides Vinyl bromides Monocarboxylic acids and derivatives Carboxylic acids Bromoalkenes Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Cinnamic acid - Coumaric acid - Naphthalene - Anisole - Phenol ether - Alkyl aryl ether - Benzenoid - Vinylogous halide - Vinyl bromide - Haloalkene - Monocarboxylic acid or derivatives - Ether - Bromoalkene - Carboxylic acid - Carboxylic acid derivative - Vinyl halide - Organic oxygen compound - Organooxygen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumaric acids. These are aromatic compounds containing a cinnamic acid moiety hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
External Descriptors
Not available