Compound Identification
SMILES
COC1=C(O)C(Br)=CC(\C=C\C(=O)C2C(=O)OC(C)=CC2=O)=C1
InChIKey
InChIKey=UAYIYPULTASYHN-ONEGZZNKSA-N
Formula
C16H13BrO6
Mass
381.178
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- 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
Hydroxycinnamic acids and derivatives
Alternative Parents
Methoxyphenols Styrenes Phenoxy compounds Anisoles Methoxybenzenes O-bromophenols Alkyl aryl ethers Beta-diketones Bromobenzenes Dihydropyranones Aryl bromides Enones Enol esters Acryloyl compounds Cyclic ketones Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Aldehydes Organobromides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hydroxycinnamic acid or derivatives - Methoxyphenol - Phenoxy compound - Anisole - 2-halophenol - Methoxybenzene - 2-bromophenol - Styrene - Phenol ether - Alkyl aryl ether - 1,3-diketone - Halobenzene - Dihydropyranone - Bromobenzene - Phenol - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Acryloyl-group - Enol ester - Alpha,beta-unsaturated ketone - Enone - Cyclic ketone - Carboxylic acid ester - Lactone - Ketone - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Ether - Organohalogen compound - Organobromide - Aldehyde - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as hydroxycinnamic acids and derivatives. These are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated.
External Descriptors
Not available