Compound Identification
SMILES
ClC1=CC2=C(OC3=C(C=C(Cl)C(=C3)C(\C#N)=C3/C=CNC4=CC=CC=C34)C22OC(=O)C3=CC(Cl)=C(Cl)C=C23)C=C1\C(C#N)=C1/C=CNC2C=CC=CC12
InChIKey
InChIKey=UJKOLIZXBLWOKV-XXGIQBRXSA-N
Formula
C42H22Cl4N4O3
Mass
772.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Neoflavonoids
- Subclass Prenylated neoflavonoids
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Class
Neoflavonoids
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Neoflavonoids
Subclass
Prenylated neoflavonoids
Intermediate Tree Nodes
Not available
Direct Parent
Prenylated neoflavonoids
Alternative Parents
Xanthenes Diarylethers Hydroquinolones Phthalides Benzofuranones Hydroquinolines Isobenzofurans Tetrahydropyridines Aryl chlorides Benzenoids Carboxylic acid esters Lactones Enamines Nitriles Dialkylamines Allylamines Azacyclic compounds Oxacyclic compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Prenylated neoflavonoid - Xanthene - Dibenzopyran - Dihydroquinolone - Diaryl ether - Phthalide - 1-benzopyran - Benzofuranone - Dihydroquinoline - Tetrahydroquinoline - Benzopyran - Isobenzofuranone - Isocoumaran - Isobenzofuran - Tetrahydropyridine - Benzenoid - Aryl halide - Aryl chloride - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Allylamine - Secondary aliphatic amine - Oxacycle - Enamine - Ether - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic oxygen compound - Cyanide - Organic oxide - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as prenylated neoflavonoids. These are neoflavonoids that features a C5-isoprenoid substituent at any position of the A, B, or C ring. Neoflavonoids are compounds with a structure based on the 4-phenylchromene backbone.
External Descriptors
Not available