Compound Identification
SMILES
CCN1CC2CCC(OC)C34[C@@H]5C[C@@]6(O)C(OC(=O)C7=CC=CC=C7)[C@@H]5[C@](O)(C[C@@H]6OC)C(C[C@H]23)C14
InChIKey
InChIKey=HPXCSFGRIIAHER-QJAANGICSA-N
Formula
C29H39NO6
Mass
497.632
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
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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
Lappaconitine-type diterpenoid alkaloids
Alternative Parents
Quinolidines Benzoic acid esters Alkaloids and derivatives Benzoyl derivatives Azepanes Piperidines Tertiary alcohols Trialkylamines Cyclic alcohols and derivatives Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Lappaconitine-type diterpenoid alkaloid - Quinolidine - Benzoate ester - Alkaloid or derivatives - Benzoic acid or derivatives - Benzoyl - Azepane - Benzenoid - Piperidine - Monocyclic benzene moiety - Tertiary alcohol - Cyclic alcohol - Tertiary aliphatic amine - Tertiary amine - 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 lappaconitine-type diterpenoid alkaloids. These are c18-bisnorditerpenoid alkaloids with a structure based on the heptacyclic lappaconitine skeleton. Lappaconitine similar to aconitane, with the difference that the former lacks a carbon atom at the 18-position.
External Descriptors
Not available