Compound Identification
SMILES
CCCCC1=NC(Cl)=C(CC(O)=O)N1CC1=CC2=C(OC(=C2Br)C2=CC=CC=C2C2=NN(N=N2)C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=OHWOCEFQNCOPOD-UHFFFAOYSA-N
Formula
C44H36BrClN6O3
Mass
812.17
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
Triphenyl compounds 2-phenylbenzofurans Phenyltetrazoles and derivatives 1,2,4,5-tetrasubstituted imidazoles Imidazolyl carboxylic acids and derivatives Aryl bromides Aryl chlorides Benzene and substituted derivatives N-substituted imidazoles Heteroaromatic compounds Furans Monocarboxylic acids and derivatives Carboxylic acids Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides Organobromides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-arylbenzofuran flavonoid - Triphenyl compound - 2-phenylbenzofuran - Phenylbenzofuran - Phenyltetrazole - 1,2,4,5-tetrasubstituted imidazole - Benzofuran - Imidazolyl carboxylic acid derivative - Aryl bromide - Aryl chloride - Aryl halide - N-substituted imidazole - Monocyclic benzene moiety - Benzenoid - Furan - Imidazole - Heteroaromatic compound - Azole - Tetrazole - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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