Compound Identification
SMILES
CCN1C[C@]2(CC[C@H](OC)[C@]34[C@H]5C[C@@H]6[C@H](OC)[C@@]55OCO[C@@]5(C[C@H]6OC)[C@H](C[C@@H]23)[C@H]14)OC(=O)C1=CC=CC=C1NC(C)=O
InChIKey
InChIKey=PIUDCIPLFBTYSP-NKNYKWGVSA-N
Formula
C33H44N2O8
Mass
596.721
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
Lappaconitine-type diterpenoid alkaloids
Alternative Parents
Acylaminobenzoic acid and derivatives Quinolidines Acetanilides Benzoic acid esters Alkaloids and derivatives N-acetylarylamines Benzoyl derivatives Azepanes Piperidines Vinylogous amides 1,3-dioxolanes Acetamides Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Acetals Dialkyl ethers Oxacyclic compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Lappaconitine-type diterpenoid alkaloid - Acylaminobenzoic acid or derivatives - Acetanilide - Benzoate ester - Quinolidine - Benzoic acid or derivatives - N-acetylarylamine - Anilide - Alkaloid or derivatives - Benzoyl - N-arylamide - Azepane - Monocyclic benzene moiety - Benzenoid - Piperidine - Acetamide - Vinylogous amide - Meta-dioxolane - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Azacycle - Carboxylic acid derivative - Oxacycle - Acetal - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Amine - 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