Compound Identification
SMILES
CN[C@H]1C=CC2=CC3=CC[C@]4(C)[C@H](CC[C@@]4(C)[C@@H]3CC[C@H]2[C@@]1(C)CO)[C@H](C)N(C)C
InChIKey
InChIKey=SUQIYTZXZZJGMZ-NFJXPMKSSA-N
Formula
C27H44N2O
Mass
412.662
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 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 1,3-aminoalcohols Trialkylamines Dialkylamines Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Abeo-9(10->19)-4,4-14(alpha)-trimethyl-5(alpha)-pregnane-skeleton - Abeoabietane diterpenoid - Diterpenoid - 1,3-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Secondary aliphatic amine - Secondary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Alcohol - 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