Compound Identification
SMILES
C[C@@]12CN3C4[C@@H]5C[C@H]6[C@H](O)[C@H]7[C@]4(CCC1)[C@@H]2[C@]3(CC57[C@H](O)C6=C)OC(=O)C1=CC(=CC=C1)C(F)(F)F
InChIKey
InChIKey=FLMYLLDVUQEECV-LQTSVSAZSA-N
Formula
C28H30F3NO4
Mass
501.546
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 Quinolizidines Benzoic acid esters Alkaloids and derivatives Indoles and derivatives Indolizidines Isoindolines Benzoyl derivatives Azepanes N-alkylpyrrolidines Piperidines Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Alkyl fluorides Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hetisine-type diterpenoid alkaloid - Azaspirodecane - Benzoate ester - Trifluoromethylbenzene - Quinolizidine - Benzoic acid or derivatives - Indole or derivatives - Indolizidine - Isoindoline - Alkaloid or derivatives - Isoindole or derivatives - Benzoyl - Azepane - Benzenoid - Piperidine - N-alkylpyrrolidine - Monocyclic benzene moiety - Pyrrolidine - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Alcohol - Organopnictogen compound - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - 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