Compound Identification
SMILES
COC[C@@]12CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]13)[C@@H]4NC2=O
InChIKey
InChIKey=XGNLVYXRWSQUKE-BSJHGYJISA-N
Formula
C22H33NO6
Mass
407.507
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Diterpenoids
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Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Diterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Aconitane-type diterpenoid alkaloids
Alternative Parents
Quinolidines Alkaloids and derivatives Caprolactams Piperidinones Delta lactams Azepanes N-acyl amines Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Dialkyl ethers Carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Aconitane-type diterpenoid alkaloid - Quinolidine - Alkaloid or derivatives - Caprolactam - Piperidinone - Delta-lactam - Azepane - Fatty acyl - Piperidine - N-acyl-amine - Fatty amide - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Lactam - Carboxamide group - Azacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aconitane-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the hexacyclic aconitane skeleton. These compounds have no oxygen functionality at the C7 atom.
External Descriptors
Not available