Compound Identification
SMILES
CC(=O)OC1C2C3N4CC5(C)CCCC33C6CC1C(=C)C(O)C26CC4C53
InChIKey
InChIKey=ULCHMDMEUCCBDR-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 Isoindolines Indolizidines Indoles and derivatives Azepanes Piperidines N-alkylpyrrolidines Trialkylamines Secondary alcohols Amino acids and derivatives Cyclic alcohols and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Hetisine-type diterpenoid alkaloid - Azaspirodecane - Quinolizidine - Indole or derivatives - Indolizidine - Isoindoline - Alkaloid or derivatives - Isoindole or derivatives - Azepane - N-alkylpyrrolidine - Piperidine - Cyclic alcohol - Pyrrolidine - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Amine - Alcohol - Organic nitrogen 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