Compound Identification
SMILES
CCC1=NC2=NC=C(C=O)N2C(NCC2=CC3=C(OC(=C3Br)C3=CC=CC=C3C3=NNN=N3)C=C2)=C1
InChIKey
InChIKey=KDPVEHNSOZXZPI-UHFFFAOYSA-N
Formula
C25H19BrN8O2
Mass
543.385
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 Imidazo[1,2-a]pyrimidines Secondary alkylarylamines Aminopyrimidines and derivatives Aryl-aldehydes Carbonylimidazoles Aryl bromides N-substituted imidazoles Benzene and substituted derivatives Heteroaromatic compounds Furans Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-arylbenzofuran flavonoid - 2-phenylbenzofuran - Phenylbenzofuran - Phenyltetrazole - Benzofuran - Imidazo[1,2-a]pyrimidine - Aminopyrimidine - Aryl-aldehyde - Secondary aliphatic/aromatic amine - Imidazole-4-carbonyl group - Aryl bromide - Benzenoid - Aryl halide - Pyrimidine - Monocyclic benzene moiety - N-substituted imidazole - Heteroaromatic compound - Tetrazole - Azole - Furan - Imidazole - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Amine - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - 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