Compound Identification
SMILES
COC1=C(OC)C(Br)=CC(=C1)C1C(=COC2=C1C=CC1=C2C=CN1C)C#N
InChIKey
InChIKey=RSKJMQNJEQXXQW-UHFFFAOYSA-N
Formula
C21H17BrN2O3
Mass
425.282
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Neoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Neoflavonoids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Neoflavonoids
Alternative Parents
1-benzopyrans N-alkylindoles Dimethoxybenzenes Indoles Phenoxy compounds Anisoles Alkyl aryl ethers Bromobenzenes N-methylpyrroles Aryl bromides Heteroaromatic compounds Oxacyclic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Neoflavonoid skeleton - Benzopyran - N-alkylindole - 1-benzopyran - O-dimethoxybenzene - Dimethoxybenzene - Indole - Indole or derivatives - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Substituted pyrrole - Benzenoid - Aryl bromide - N-methylpyrrole - Aryl halide - Monocyclic benzene moiety - Pyrrole - Heteroaromatic compound - Oxacycle - Organoheterocyclic compound - Azacycle - Nitrile - Carbonitrile - Ether - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Cyanide - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as neoflavonoids. These are compounds with a structure based on the 4-phenylchromene backbone.
External Descriptors
Not available