Compound Identification
SMILES
CC1=CC=CC=C1OC1=CC2=C(OC1=O)C=CC(Br)=C2
InChIKey
InChIKey=ILGPUHQGQCYSJH-UHFFFAOYSA-N
Formula
C16H11BrO3
Mass
331.165
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarins and derivatives
Alternative Parents
Diarylethers 1-benzopyrans Phenoxy compounds Phenol ethers Toluenes Pyranones and derivatives Aryl bromides Heteroaromatic compounds Lactones Oxacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Diaryl ether - Benzopyran - 1-benzopyran - Phenoxy compound - Phenol ether - Toluene - Pyranone - Benzenoid - Pyran - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Lactone - Organoheterocyclic compound - Oxacycle - Ether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors
Not available