Compound Identification
SMILES
COC1=C(OC)C(C=CC(O)=O)=C(Br)C2=C1OC=C2
InChIKey
InChIKey=JNOCTMWUFCAFPE-UHFFFAOYSA-N
Formula
C13H11BrO5
Mass
327.13
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 acids Benzofurans Styrenes Anisoles Alkyl aryl ethers Aryl bromides Heteroaromatic compounds Furans Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid - Coumaric acid or derivatives - Benzofuran - Anisole - Styrene - Phenol ether - Alkyl aryl ether - Aryl bromide - Aryl halide - Benzenoid - Heteroaromatic compound - Furan - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organic oxygen compound - Organohalogen compound - Organic oxide - Aromatic heteropolycyclic 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