Compound Identification
SMILES
CC[N+]1([O-])CC2(C)CCC(O)C34C2CC(C13)C12CC(C(=C)C1O)C(=O)CC42
InChIKey
InChIKey=YAFVVJNTIALWDB-UHFFFAOYSA-N
Formula
C22H31NO4
Mass
373.493
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Diterpenoids
- Level 5 Kaurane diterpenoids
-
Subclass
Diterpenoids
-
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
Kaurane diterpenoids
Alternative Parents
Azepanes Piperidines Trialkyl amine oxides Secondary alcohols Ketones Cyclic alcohols and derivatives Trisubstituted amine oxides and derivatives Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Kaurane diterpenoid - Azepane - Piperidine - Cyclic alcohol - Trialkyl amine oxide - Ketone - Secondary alcohol - N-oxide - Trisubstituted n-oxide - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic zwitterion - Alcohol - Organic nitrogen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as kaurane diterpenoids. These are diterpene alkaloids with a structure that is based on the kaurane skeleton. Kaurane is a tetracyclic compound that arises by cyclisation of a pimarane precursor followed by rearrangement. It possesses a [3,2,1]-bicyclic ring system with C15-C16 bridge connected to C13, forming the five-membered ring D.
External Descriptors
Not available