Compound Identification
SMILES
[H][C@@]1(O)C(=C)[C@@]2([H])C[C@@]11[C@@]3([H])C[C@@]4([H])[C@]5([C@@]3([H])NC[C@]4(C)CC[C@]5([H])O)[C@@]1([H])CC2=O
InChIKey
InChIKey=MWZJXBFZRGVUDV-HBUBYJLQSA-N
Formula
C20H27NO3
Mass
329.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
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Subclass
Diterpenoids
- Level 5 Kaurane diterpenoids
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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
Kaurane diterpenoids
Direct Parent
Napelline-type diterpenoid alkaloids
Alternative Parents
Alkaloids and derivatives Azepanes Piperidines Secondary alcohols Ketones Cyclic alcohols and derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Napelline-type diterpenoid alkaloid - Alkaloid or derivatives - Azepane - Piperidine - Cyclic alcohol - Ketone - Secondary alcohol - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Azacycle - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as napelline-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the napelline skeleton, which is a hexacyclic compound, with an additional C-20-C-7 bond in the kaurane-type.
External Descriptors
Not available