Compound Identification
SMILES
C[C@H]1CC[C@H]2[C@@](C)(O)[C@H]3CC[C@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3C[N+]2([O-])C1
InChIKey
InChIKey=BBAXNNBTFRECAH-LSIVGDAKSA-N
Formula
C27H45NO4
Mass
447.66
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
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
Naphthylisoquinolines Azasteroids and derivatives Pumiliotoxins, homopumiliotoxins, and allopumiliotoxins Diterpenoids Quinolizidines Naphthalenes Piperidines Trialkyl amine oxides Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Trisubstituted amine oxides and derivatives Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic oxoanionic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cerveratrum-type alkaloid - Naphthylisoquinoline - Diterpenoid - Azasteroid - Homopumiliotoxin-skeleton - Quinolizidine - Naphthalene - Isoquinoline - Alkaloid or derivatives - Piperidine - Trialkyl amine oxide - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Azacycle - Organoheterocyclic compound - Trisubstituted n-oxide - N-oxide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic hyponitrite - Alcohol - 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