Compound Identification
SMILES
C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@@H]4[C@@H](C[C@H]5[C@H]4C[C@@H](OC(C)=O)[C@H]4C[C@@H](CC[C@]54C)OC(C)=O)[C@@H]3CN2C1
InChIKey
InChIKey=FATOICABJMDCPU-LHTZQXJVSA-N
Formula
C31H49NO4
Mass
499.736
Taxonomic Classification
Taxonomy Tree
-
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 Cerveratrum-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
Cerveratrum-type alkaloids
Alternative Parents
Azasteroids and derivatives Quinolizidines Alkaloids and derivatives Piperidines Dicarboxylic acids and derivatives Trialkylamines Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cerveratrum-type alkaloid - Azasteroid - Quinolizidine - Alkaloid or derivatives - Dicarboxylic acid or derivatives - Piperidine - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cerveratrum-type alkaloids. These are steroidal alkaloids containing the cevane (23-methyl-4- azahexacyclo[12.11.0.0^{2,11}.0^{4,9}.0^{15,24}.0^{18,23}]pentacosane) moiety, which is a six ring system. Cerveratrum alkaloids have 7-9 oxygen atoms and occur as free alkamines or esters of simple aliphatic or aromatic acids.
External Descriptors
Not available