Compound Identification
SMILES
CCN1C[C@]2(COC)CC[C@H](OC)C34[C@H]5C[C@]6(O)[C@H](OC(=O)C7=CC=CC=C7)[C@@H]5[C@@](OC)(C([C@H](OC)[C@H]23)C14)[C@@H](O)[C@@H]6OC
InChIKey
InChIKey=WXQMJWAPTHUPHW-NSEKAURHSA-N
Formula
C33H47NO9
Mass
601.737
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- 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
Aconitane-type diterpenoid alkaloids
Alternative Parents
Quinolidines Benzoic acid esters Alkaloids and derivatives Benzoyl derivatives Fatty acid esters Azepanes Piperidines Tertiary alcohols Enoate esters Trialkylamines Secondary alcohols Cyclic alcohols and derivatives Amino acids and derivatives Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aconitane-type diterpenoid alkaloid - Quinolidine - Benzoate ester - Alkaloid or derivatives - Benzoic acid or derivatives - Benzoyl - Fatty acid ester - Azepane - Fatty acyl - Benzenoid - Piperidine - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Cyclic alcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic 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