Compound Identification
SMILES
CCC1=NC=CC(=O)N1CC1=CC2=C(OC(=C2Br)C2=CC=CC=C2C2=NNN=N2)C=C1
InChIKey
InChIKey=GDFDZOUCQRSLAK-UHFFFAOYSA-N
Formula
C22H17BrN6O2
Mass
477.322
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
2-arylbenzofuran flavonoids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
2-arylbenzofuran flavonoids
Alternative Parents
2-phenylbenzofurans Phenyltetrazoles and derivatives Pyrimidones Aryl bromides Benzene and substituted derivatives Hydropyrimidines Furans Heteroaromatic compounds Lactams Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-arylbenzofuran flavonoid - 2-phenylbenzofuran - Phenylbenzofuran - Phenyltetrazole - Benzofuran - Pyrimidone - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Pyrimidine - Azole - Heteroaromatic compound - Furan - Tetrazole - Lactam - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety.
External Descriptors
Not available