Compound Identification
SMILES
C[C@@]12CN3C4CC56[C@H]7C[C@@H]([C@H](OC(=O)C8=CC(=CC=C8)C(F)(F)F)[C@H]5[C@@](CCC1)(C37)[C@@H]24)C(=C)[C@H]6O
InChIKey
InChIKey=NFDCSNXKHQJDIU-CWXNGUGBSA-N
Formula
C28H30F3NO3
Mass
485.547
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Diterpenoids
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Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Diterpenoids
Intermediate Tree Nodes
Villanovane, atisane, trachylobane or helvifulvane diterpenoids - Atisane diterpenoids
Direct Parent
Hetisine-type diterpenoid alkaloids
Alternative Parents
Trifluoromethylbenzenes Azaspirodecane derivatives Benzoic acid esters Quinolizidines Alkaloids and derivatives Indoles and derivatives Indolizidines Isoindolines Benzoyl derivatives Azepanes N-alkylpyrrolidines Piperidines Amino acids and derivatives Cyclic alcohols and derivatives Carboxylic acid esters Secondary alcohols Trialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Alkyl fluorides Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hetisine-type diterpenoid alkaloid - Azaspirodecane - Trifluoromethylbenzene - Benzoate ester - Quinolizidine - Benzoic acid or derivatives - Indole or derivatives - Alkaloid or derivatives - Indolizidine - Isoindoline - Isoindole or derivatives - Benzoyl - Azepane - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Piperidine - Pyrrolidine - Cyclic alcohol - Tertiary amine - Secondary alcohol - Tertiary aliphatic amine - Amino acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Amine - Alkyl fluoride - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alcohol - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hetisine-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the hetisine skeleton, which is a heptacyclic compound with an additional N-C-6 bond as compared with the hetidine-type, and thus, is one of most complex entries in the atisane-class.
External Descriptors
Not available