Compound Identification
SMILES
[H][C@]12NC[C@]3(C)C[C@]([H])(O)C[C@]11[C@]4([H])[C@]([H])(O)[C@@]5([H])C(=C)C[C@]4(CC[C@]31[H])[C@]2([H])[C@]5([H])O
InChIKey
InChIKey=XNFQUGPVHYJHHZ-PMCSWTMGSA-N
Formula
C20H29NO3
Mass
331.456
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
Hetidine-type diterpenoid alkaloids
Alternative Parents
Alkaloids and derivatives Piperidines Secondary alcohols Cyclic alcohols and derivatives Polyols Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Hetidine-type diterpenoid alkaloid - Alkaloid or derivatives - Piperidine - Cyclic alcohol - Secondary alcohol - Organoheterocyclic compound - Secondary amine - Polyol - Secondary aliphatic amine - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Alcohol - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hetidine-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the hetidine skeleton, which is a hexacyclic compound with an additional C-20-C-14 bond in the atisine-type.
External Descriptors
Not available