Compound Identification
SMILES
COC1=CC2=C(OC(=O)C=C2C2=CC3=C(O2)C=CC(Br)=C3)C=C1
InChIKey
InChIKey=WRIQNWLHVHGNOU-UHFFFAOYSA-N
Formula
C18H11BrO4
Mass
371.186
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
1-benzopyrans Benzofurans Anisoles Pyranones and derivatives Alkyl aryl ethers Aryl bromides Heteroaromatic compounds Furans Lactones Oxacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Benzofuran - Anisole - Phenol ether - Alkyl aryl ether - Pyranone - Aryl bromide - Aryl halide - Benzenoid - Pyran - Furan - Heteroaromatic compound - Lactone - Ether - Oxacycle - Organoheterocyclic compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen 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