Compound Identification
SMILES
CN(C)CC(O)COC1=CC2=C(C=C1)C(CC(C)(C)O2)C1=CC=C(C=C1)C(F)(F)F
InChIKey
InChIKey=KFBUPTSJJJEYEZ-UHFFFAOYSA-N
Formula
C23H28F3NO3
Mass
423.476
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Neoflavonoids
- Subclass Neoflavans
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Class
Neoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Neoflavonoids
Subclass
Neoflavans
Intermediate Tree Nodes
Not available
Direct Parent
Neoflavans
Alternative Parents
2,2-dimethyl-1-benzopyrans Trifluoromethylbenzenes Phenol ethers Alkyl aryl ethers Trialkylamines Secondary alcohols 1,2-aminoalcohols Oxacyclic compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Neoflavan - 2,2-dimethyl-1-benzopyran - Chromane - Trifluoromethylbenzene - Benzopyran - 1-benzopyran - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Secondary alcohol - Tertiary aliphatic amine - 1,2-aminoalcohol - Organoheterocyclic compound - Ether - Oxacycle - Alcohol - Organohalogen compound - Organofluoride - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Amine - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as neoflavans. These are neoflavonoids with a structure based on a 3,4-dihydro-4-aryl-2H-1-benzopyran skeleton.
External Descriptors
Not available