Compound Identification
SMILES
NC1=C(C#N)[C@H](C2=CC=C(C=C2)C(F)(F)F)C2=C(O1)C1=C([C@H](C3=CC=C(C=C3)C(F)(F)F)C(C#N)=C(N)O1)C1=CC=CC=C21
InChIKey
InChIKey=LUSGDTGIJXKHQM-PSWAGMNNSA-N
Formula
C32H18F6N4O2
Mass
604.512
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Neoflavonoids
- Subclass Pyranoneoflavonoids
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Class
Neoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Neoflavonoids
Subclass
Pyranoneoflavonoids
Intermediate Tree Nodes
Not available
Direct Parent
Pyranoneoflavonoids
Alternative Parents
Naphthopyrans Trifluoromethylbenzenes Naphthalenes 1-benzopyrans Pyrans Ketene acetals Oxacyclic compounds Nitriles Organofluorides Hydrocarbon derivatives Amines Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyranoneoflavonoid - Naphthopyran - Benzopyran - Trifluoromethylbenzene - Naphthalene - 1-benzopyran - Monocyclic benzene moiety - Pyran - Benzenoid - Ketene acetal or derivatives - Oxacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyranoneoflavonoids. These are compounds containing a pyran ring fused to either ring A, B, or C of the neoflavonoid skeleton. Neoflavonoids are compounds with a structure based on the 4-phenylchromene backbone.
External Descriptors
Not available