Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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