Compound Identification
SMILES
CCN1C[C@]2(C)CC[C@H](OC(=O)C3=CC=CC=C3)[C@]34C5C[C@H](OC(=O)C6=CC=CC=C6)[C@H]6C[C@@]5([C@@H](C[C@H]23)[C@@H]14)[C@H](OC(=O)C1=CC=CC=C1)C6=C
InChIKey
InChIKey=HGFMWFUVPKFOMU-KZNUSKRJSA-N
Formula
C43H45NO6
Mass
671.834
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
Kaurane diterpenoids
Direct Parent
Napelline-type diterpenoid alkaloids
Alternative Parents
Benzoic acid esters Alkaloids and derivatives Benzoyl derivatives Azepanes Piperidines Trialkylamines Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Napelline-type diterpenoid alkaloid - Benzoate ester - Benzoic acid or derivatives - Alkaloid or derivatives - Benzoyl - Azepane - Benzenoid - Piperidine - Monocyclic benzene moiety - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Amine - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as napelline-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the napelline skeleton, which is a hexacyclic compound, with an additional C-20-C-7 bond in the kaurane-type.
External Descriptors
Not available