Structure Information
Structure

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

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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 - 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

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