Compound Identification
SMILES
CNC(C)C1C(O)CC2(C)C3CCC4C(CCC(N(C)C)C4(C)C)=CC3=CCC12C
InChIKey
InChIKey=GTXYASOPMHQGPE-UHFFFAOYSA-N
Formula
C27H46N2O
Mass
414.678
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
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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
Buxus alkaloids
Alternative Parents
Diterpenoids Trialkylamines Secondary alcohols Cyclic alcohols and derivatives 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 - Cyclic alcohol - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Secondary aliphatic amine - Secondary amine - Alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - 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