Compound Identification
SMILES
CCOC(=O)C1=C(N)OC2=C(C=CC3=C2N=C(\C=C\C2=CC=C(F)C=C2)C=C3)C1C1=CC=C(Br)C=C1
InChIKey
InChIKey=JRGKIQYZYGLNMH-LHHJGKSTSA-N
Formula
C29H22BrFN2O3
Mass
545.408
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
Pyranoquinolines Chromenopyridines Styrenes Bromobenzenes Fluorobenzenes Pyridines and derivatives Pyrans Aryl bromides Aryl fluorides Vinylogous esters Vinylogous amides Enoate esters Heteroaromatic compounds Ketene acetals Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organobromides Amines Organic oxides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Neoflavonoid skeleton - Pyranoquinoline - Chromenopyridine - Quinoline - Benzopyran - 1-benzopyran - Styrene - Halobenzene - Fluorobenzene - Bromobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyran - Benzenoid - Pyridine - Vinylogous ester - Vinylogous amide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Carboxylic acid ester - Ketene acetal or derivatives - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organobromide - Organooxygen compound - Amine - Organonitrogen compound - Carbonyl group - Organofluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen 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