Compound Identification
SMILES
[H][C@]12C[C@@]3([H])C(=C)C[C@@]11C[C@@]4(O)N5C[C@]6(C)C[C@]([H])(O)[C@@]([H])(OC(C)=O)[C@@]2([C@]5([H])[C@@]1([H])C3=O)[C@@]46[H]
InChIKey
InChIKey=SMKLDHHGRDTUQJ-RXQMBHOVSA-N
Formula
C22H27NO5
Mass
385.46
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
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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 Azaspirodecane derivatives Alkaloids and derivatives Indoles and derivatives Indolizidines Isoindolines Azepanes Piperidines N-alkylpyrrolidines Hemiaminals Cyclic alcohols and derivatives Carboxylic acid esters Secondary alcohols Ketones Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Hetisine-type diterpenoid alkaloid - Azaspirodecane - Quinolizidine - Isoindole or derivatives - Isoindoline - Indole or derivatives - Alkaloid or derivatives - Indolizidine - Azepane - Piperidine - N-alkylpyrrolidine - Cyclic alcohol - Pyrrolidine - Hemiaminal - Ketone - Carboxylic acid ester - Secondary alcohol - Alkanolamine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Alcohol - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - 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