Compound Identification
SMILES
Br.CCN1C[C@@]2(CCC(OC)C34C5C[C@H]6C(OC)[C@]5(O)[C@](O)(C[C@@H]6OC)C(C[C@H]23)[C@@H]14)OC(=O)C1=CC=CC=C1NC(C)=O
InChIKey
InChIKey=CFFYROOPXPKMEQ-XVFCRJSRSA-N
Formula
C32H45BrN2O8
Mass
665.622
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
-
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 Benzoic acid esters Acetanilides Quinolidines Alkaloids and derivatives N-acetylarylamines Benzoyl derivatives Azepanes Piperidines Acetamides Tertiary alcohols Vinylogous amides 1,2-diols Trialkylamines Amino acids and derivatives Cyclic alcohols and derivatives Carboxylic acid esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Hydrobromides Hydrocarbon derivatives Organic oxides Organopnictogen compounds Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Lappaconitine-type diterpenoid alkaloid - Acylaminobenzoic acid or derivatives - Acetanilide - Quinolidine - Benzoate ester - Anilide - Alkaloid or derivatives - N-acetylarylamine - Benzoic acid or derivatives - N-arylamide - Benzoyl - Azepane - Piperidine - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Acetamide - Cyclic alcohol - Vinylogous amide - 1,2-diol - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Ether - Dialkyl ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alcohol - Organonitrogen compound - Organooxygen compound - Hydrobromide - Organic nitrogen 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