Compound Identification
SMILES
CCN1[C@@H]2[C@@H]3[C@@H](OC(C)=O)[C@H]4[C@]2([C@@H]2C[C@H]5[C@H](O)[C@@H]2[C@@]3(C[C@@H]5OC)OC)[C@@H]2CC[C@@]4(C)[C@H]1O2
InChIKey
InChIKey=KCKWLTSMSXSQHY-SXSSEPDDSA-N
Formula
C25H37NO6
Mass
447.572
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 Azepanes Piperidines Oxanes 1,3-oxazinanes Secondary alcohols Hemiaminals Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Aconitane-type diterpenoid alkaloid - Quinolidine - Alkaloid or derivatives - Azepane - 1,3-oxazinane - Oxane - Oxazinane - Piperidine - Cyclic alcohol - Carboxylic acid ester - Hemiaminal - Secondary alcohol - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Alcohol - Organic nitrogen compound - 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