Compound Identification
SMILES
[H][C@@]12C[C@]3([H])[C@@]4([H])CC[C@@]5([H])C[C@@]([H])(O)CC[C@]5(C)[C@]4([H])CC[C@]3(C)[C@@]1([H])[C@]([H])(C)[C@]1([H])NC[C@@]([H])(CO)C[C@@]1(O)O2
InChIKey
InChIKey=AGNQTDBSAUJBFO-MFXBEOKFSA-N
Formula
C27H45NO4
Mass
447.66
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
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Subclass
Steroidal alkaloids
- Level 5 Solanocapsine-type alkaloids
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Subclass
Steroidal alkaloids
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Class
Steroids and steroid derivatives
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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-beta-hydroxysteroids Azasteroids and derivatives Alkaloids and derivatives Piperidines Oxanes 1,3-aminoalcohols Secondary alcohols Hemiacetals Cyclic alcohols and derivatives Oxacyclic compounds Dialkylamines Azacyclic compounds Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Solanocapsine skeleton - 23-hydroxysteroid - 3-hydroxysteroid - Hydroxysteroid - 3-beta-hydroxysteroid - Azasteroid - Alkaloid or derivatives - Oxane - Piperidine - 1,3-aminoalcohol - Cyclic alcohol - Secondary alcohol - Hemiacetal - Oxacycle - Secondary amine - Organoheterocyclic compound - Azacycle - Secondary aliphatic amine - Primary alcohol - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - Alcohol - Organic nitrogen 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