Compound Identification
SMILES
[H]C12CC3([H])C(=C)CC11CC4(O)N5CC6(C)CCCC(C25[H])(C1([H])C3([H])OC(C)=O)C46[H]
InChIKey
InChIKey=DWUXLTHMRXTVCJ-UHFFFAOYSA-N
Formula
C22H29NO3
Mass
355.478
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
Quinolizidines Azaspirodecane derivatives Alkaloids and derivatives Indoles and derivatives Indolizidines Isoindolines Azepanes Piperidines N-alkylpyrrolidines Hemiaminals Cyclic alcohols and derivatives Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Hetisine-type diterpenoid alkaloid - Azaspirodecane - Quinolizidine - Indole or derivatives - Alkaloid or derivatives - Indolizidine - Isoindoline - Isoindole or derivatives - Azepane - N-alkylpyrrolidine - Piperidine - Cyclic alcohol - Pyrrolidine - Carboxylic acid ester - Hemiaminal - Alkanolamine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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