Compound Identification
SMILES
[H][C@]12C[C@]3([H])[C@]([H])([C@@]1([H])OC(C)=O)[C@](O)(C[C@]2([H])OC)[C@@]1([H])[C@]([H])(OC)[C@@]2([H])[C@]33[C@]1([H])N(CC)C[C@]2(COC1=CC=CC=C1)CC[C@]3([H])O
InChIKey
InChIKey=GHAXUUCZOJEPHA-UFQOOJSVSA-N
Formula
C31H43NO7
Mass
541.685
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 Alkaloids and derivatives Phenoxy compounds Phenol ethers Alkyl aryl ethers Azepanes Piperidines Tertiary alcohols Trialkylamines Secondary alcohols Amino acids and derivatives Carboxylic acid esters Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aconitane-type diterpenoid alkaloid - Quinolidine - Alkaloid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Azepane - Piperidine - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Cyclic alcohol - Amino acid or derivatives - Secondary alcohol - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - 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