Compound Identification
SMILES
COC1=C\C(=C\N\N=C2\SC=C(N2C2CCCCC2)C2=CC3=C(OC2=O)C=CC(Br)=C3)C=CC1=O
InChIKey
InChIKey=GPUNSELXAVXVNQ-OUTULQPHSA-N
Formula
C26H24BrN3O4S
Mass
554.46
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 P-quinomethanes Pyranones and derivatives Aryl bromides Benzenoids Thiazoles Heteroaromatic compounds Lactones Hydrazones Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organopnictogen compounds Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - P-quinomethane - Quinomethane - Pyranone - Aryl bromide - Aryl halide - Benzenoid - Pyran - Azole - Heteroaromatic compound - Thiazole - Ketone - Lactone - Cyclic ketone - Hydrazone - Oxacycle - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organic nitrogen compound - Aldehyde - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organobromide - Organonitrogen compound - 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