Compound Identification
SMILES
CCC1=NC2=NC(=CN2C(NCC2=CC3=C(OC(=C3Br)C3=CC=CC=C3C3=NNN=N3)C=C2)=C1)C(O)=O
InChIKey
InChIKey=CWXIZBKTCKUYAP-UHFFFAOYSA-N
Formula
C25H19BrN8O3
Mass
559.384
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 Aminopyrimidines and derivatives Carbonylimidazoles Aryl bromides Benzene and substituted derivatives N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Furans Oxacyclic compounds Azacyclic compounds Carboxylic acids Amines Organobromides Organic oxides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-arylbenzofuran flavonoid - 2-phenylbenzofuran - Phenylbenzofuran - Phenyltetrazole - Imidazo[1,2-a]pyrimidine - Benzofuran - Aminopyrimidine - Imidazole-4-carbonyl group - Aryl bromide - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Pyrimidine - Azole - Heteroaromatic compound - Furan - Imidazole - Vinylogous amide - Tetrazole - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Azacycle - Oxacycle - Organic oxygen compound - Amine - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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