Compound Identification
SMILES
Cl.CNCC1=CC=CC=C1.CCOC1=CC2=C(C=C1)C(=CC(C)(C)O2)C1=CC(=CC=C1)C(F)(F)F
InChIKey
InChIKey=CCGNFDQXUMYNAZ-UHFFFAOYSA-N
Formula
C28H31ClF3NO2
Mass
506.01
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Neoflavonoids
- Subclass Neoflavenes
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Class
Neoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Neoflavonoids
Subclass
Neoflavenes
Intermediate Tree Nodes
Not available
Direct Parent
Neoflavenes
Alternative Parents
2,2-dimethyl-1-benzopyrans Trifluoromethylbenzenes Benzylamines Phenol ethers Phenylmethylamines Aralkylamines Alkyl aryl ethers Quaternary ammonium salts Dialkylamines Oxacyclic compounds Organofluorides Organic chloride salts Hydrochlorides Hydrocarbon derivatives Alkyl fluorides Organic cations
Molecular Framework
Not available
Substituents
Neoflavene - 2,2-dimethyl-1-benzopyran - Trifluoromethylbenzene - Benzopyran - 1-benzopyran - Benzylamine - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Quaternary ammonium salt - Oxacycle - Secondary aliphatic amine - Ether - Organoheterocyclic compound - Secondary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic chloride salt - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Hydrochloride - Amine - Organic salt - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as neoflavenes. These are neoflavonoids with a structure based on a 4-phenylchromene skeleton.
External Descriptors
Not available