Compound Identification
SMILES
C[C@@H]1CN[C@@H]2[C@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC[C@H]6C[C@H](CC[C@]6(C)[C@H]5CC[C@]34C)NC=C3C=CC=CC3=O)O[C@]2(O)C1
InChIKey
InChIKey=XJEQFXMJFQALDH-RHMNXYCHSA-N
Formula
C34H50N2O3
Mass
534.785
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
Hydroxysteroids Azasteroids and derivatives Alkaloids and derivatives O-quinomethanes Piperidines Oxanes Vinylogous amides Hemiacetals Oxacyclic compounds Enamines Dialkylamines Azacyclic compounds Allylamines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Solanocapsine skeleton - 23-hydroxysteroid - Hydroxysteroid - Azasteroid - Alkaloid or derivatives - O-quinomethane - Quinomethane - Oxane - Piperidine - Vinylogous amide - Hemiacetal - Ketone - Cyclic ketone - Organoheterocyclic compound - Azacycle - Oxacycle - Enamine - Secondary aliphatic amine - Secondary amine - Allylamine - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - 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