Compound Identification
SMILES
CCOC12CC(C)CNC1C(C)C1C(CC3C4CCC5CC(O)CCC5(C)C4CCC13C)O2
InChIKey
InChIKey=NVXKWXXBWXGHPN-UHFFFAOYSA-N
Formula
C29H49NO3
Mass
459.715
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Steroidal alkaloids
- Level 5 Solanocapsine-type alkaloids
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Subclass
Steroidal alkaloids
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Class
Steroids and steroid derivatives
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Steroidal alkaloids
Intermediate Tree Nodes
Not available
Direct Parent
Solanocapsine-type alkaloids
Alternative Parents
3-hydroxysteroids Azasteroids and derivatives Aminoglycosides Alkaloids and derivatives Ketals Piperidines Oxanes Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Solanocapsine skeleton - Aminoglycoside core - 3-hydroxysteroid - Hydroxysteroid - Azasteroid - Alkaloid or derivatives - Ketal - Oxane - Piperidine - Cyclic alcohol - Secondary alcohol - Oxacycle - Secondary amine - Acetal - Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Alcohol - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as solanocapsine-type alkaloids. These are steroidal alkaloids with a structure that is characterized by a docosahydronaphth[2,1:4',5']indene ring system fused to a pyrano[3,2-b]pyridine moiety.
External Descriptors
Not available