Compound Identification
SMILES
CNC1CCC2=CC3=CCC4(C)C(CCC4(C)C3CCC2C1(C)C)C(C)N=C(C)C
InChIKey
InChIKey=NZYIGFDWAFQGON-UHFFFAOYSA-N
Formula
C28H46N2
Mass
410.69
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Steroidal alkaloids
- Level 5 Buxus alkaloids
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Subclass
Steroidal alkaloids
-
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
Buxus alkaloids
Alternative Parents
Diterpenoids Secondary ketimines Azomethines Propargyl-type 1,3-dipolar organic compounds Dialkylamines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Abeo-9(10->19)-4,4-14(alpha)-trimethyl-5(alpha)-pregnane-skeleton - Abeoabietane diterpenoid - Diterpenoid - Azomethine - Secondary ketimine - Ketimine - Secondary aliphatic amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Amine - Hydrocarbon derivative - Imine - Organic nitrogen compound - Organonitrogen compound - Organopnictogen compound - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as buxus alkaloids. These are alkaloids with a triterpenoid-steroid pregnane type structure with C-4 methyl groups, a 9beta,10beta-cycloartenol system, and a degraded C-20 side chain. Structurally, they are derivatives of either a 9beta,10beta-cyclo-4,4,14alpha-trimethyl-5alpha-pregnane or a 9(10->19)abeo 4,4,14alpha-trimethyl-5alpha-pregnane system.
External Descriptors
Not available