Compound Identification
SMILES
CCN1C[C@@]2(CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@]5(OC(C)=O)[C@@](C[C@@H]6OC)(OC(C)=O)[C@@H](C[C@H]23)C14)OC(=O)C1=CC=CC=C1N
InChIKey
InChIKey=UWOSMDYEOCXEGU-QANHZRRISA-N
Formula
C34H46N2O9
Mass
626.747
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
- Subclass Diterpenoids
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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
Lappaconitine-type diterpenoid alkaloids
Alternative Parents
Quinolidines Aminobenzoic acids and derivatives Benzoic acid esters Tricarboxylic acids and derivatives Alkaloids and derivatives Aniline and substituted anilines Benzoyl derivatives Azepanes Piperidines Vinylogous amides Trialkylamines Amino acids and derivatives Carboxylic acid esters Azacyclic compounds Dialkyl ethers Primary amines Hydrocarbon derivatives Organic oxides Organopnictogen compounds Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Lappaconitine-type diterpenoid alkaloid - Quinolidine - Aminobenzoic acid or derivatives - Benzoate ester - Tricarboxylic acid or derivatives - Alkaloid or derivatives - Benzoic acid or derivatives - Aniline or substituted anilines - Benzoyl - Azepane - Benzenoid - Piperidine - Monocyclic benzene moiety - Vinylogous amide - Amino acid or derivatives - Tertiary aliphatic amine - Carboxylic acid ester - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Primary amine - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - 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