Compound Identification
SMILES
CCC(C)C(=O)O[C@H]1[C@@H]2[C@H]3N4C[C@@]5(C)[C@H]6[C@@H]4C[C@@]22CC(=C)[C@@H]1[C@H](O)[C@H]2[C@@]36CCC5=O
InChIKey
InChIKey=LQWKDKOZXSGMGH-IVKRUUPLSA-N
Formula
C25H33NO4
Mass
411.542
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
- Subclass Diterpenoids
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Class
Prenol lipids
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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
Quinolizidines Isoindolones Azaspirodecane derivatives Indolizidines Indoles and derivatives Alkaloids and derivatives Fatty acid esters Azepanes Piperidines N-alkylpyrrolidines Trialkylamines Secondary alcohols Ketones Cyclic alcohols and derivatives Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Hetisine-type diterpenoid alkaloid - Quinolizidine - Isoindolone - Azaspirodecane - Alkaloid or derivatives - Isoindole or derivatives - Isoindoline - Indolizidine - Indole or derivatives - Fatty acid ester - Azepane - Fatty acyl - N-alkylpyrrolidine - Piperidine - Pyrrolidine - Cyclic alcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Ketone - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - Aliphatic 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