Compound Identification
SMILES
CC1(C)CC(NCC2=CC=CC=C2)C2=C(O1)C=C1OC(C)(C)CC(C3=CC(=CC=C3)C(F)(F)F)C1=C2
InChIKey
InChIKey=DVTPKLGQVDFPLA-UHFFFAOYSA-N
Formula
C30H32F3NO2
Mass
495.586
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Neoflavonoids
- Subclass Prenylated neoflavonoids
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Class
Neoflavonoids
-
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
Pyranoneoflavonoids Neoflavans Pyranochromenes 2,2-dimethyl-1-benzopyrans Trifluoromethylbenzenes Phenylmethylamines Benzylamines Aralkylamines Alkyl aryl ethers Oxacyclic compounds Dialkylamines Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Prenylated neoflavonoid - Pyranoneoflavonoid - Neoflavan - Pyranochromene - 2,2-dimethyl-1-benzopyran - Chromane - Benzopyran - 1-benzopyran - Trifluoromethylbenzene - Benzylamine - Phenylmethylamine - Aralkylamine - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Ether - Secondary aliphatic amine - Organoheterocyclic compound - Oxacycle - Secondary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Alkyl fluoride - Amine - Hydrocarbon derivative - Alkyl halide - 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