Compound Identification
SMILES
[H][C@]12C[C@@]3([H])[C@@]4(CCC[C@]3(C)[C@@]3([H])OCCN3[C@]14[H])[C@]1([H])C[C@]3([H])CC[C@]21C[C@@]3([H])COCCN1C[C@]2(C)CCC[C@@]34[C@]5([H])C[C@]6([H])CC[C@@]5([C@@]([H])(C[C@]23[H])[C@@]14[H])[C@]([H])(O)C6=C
InChIKey
InChIKey=KVOUULIRGZGBLJ-UNJXSXTNSA-N
Formula
C44H64N2O3
Mass
669.007
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
Danudatine-type diterpenoid alkaloids
Alternative Parents
Alkaloids and derivatives Azepanes Piperidines Oxazolidines Trialkylamines Secondary alcohols Hemiaminals Cyclic alcohols and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Danudatine-type diterpenoid alkaloid - Alkaloid or derivatives - Azepane - Piperidine - Cyclic alcohol - Oxazolidine - Hemiaminal - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organopnictogen compound - Alcohol - Organooxygen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as danudatine-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the danudatine skeleton, which is a hexacyclic compound with an additional C-20-C7 bond in the atisine skeleton.
External Descriptors
Not available