Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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