Compound Identification
SMILES
COC1=C[C@]23CCN([C@H](CCC4=CC(OC)=C(OC)C(OC)=C24)C3=CC1=O)C(=O)C(F)(F)F
InChIKey
InChIKey=BQPUUTFYCUKQAP-PEBXRYMYSA-N
Formula
C23H24F3NO6
Mass
467.441
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Androcymbine alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Androcymbine alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Androcymbine alkaloids
Alternative Parents
Isoquinolones and derivatives N-acylpiperidines Anisoles Alkyl aryl ethers Tertiary carboxylic acid amides Cyclic ketones Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Androcymbine alkaloid skeleton - Isoquinolone - N-acyl-piperidine - Anisole - Phenol ether - Alkyl aryl ether - Benzenoid - Piperidine - Tertiary carboxylic acid amide - Carboxamide group - Ketone - Cyclic ketone - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Organic nitrogen compound - Organic oxide - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as androcymbine alkaloids. These are alkaloids with a structure that is based on the androcymbine skeleton. This is a tetracyclic compound analogous to dibenzocycloheptane, where one benzene ring carries a ketone.
External Descriptors
Not available