Compound Identification
SMILES
CCN1C[C@]2(COC(=O)C3=CC=CC=C3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC(C)=O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)C14
InChIKey
InChIKey=IPWQJEONCUFCOR-RNNMQTRDSA-N
Formula
C38H50N2O11
Mass
710.821
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
Aconitane-type diterpenoid alkaloids
Alternative Parents
Acylaminobenzoic acid and derivatives Phenylpyrrolidines Quinolidines Benzoic acid esters Alkaloids and derivatives Benzoyl derivatives Azepanes Pyrrolidine-2-ones Piperidines N-substituted carboxylic acid imides Dicarboxylic acids and derivatives Tertiary alcohols Pyrroles Dicarboximides Cyclic alcohols and derivatives Carboxylic acid esters 1,2-diols Amino acids and derivatives 1,2-aminoalcohols Trialkylamines Lactams Dialkyl ethers Azacyclic compounds Carbonyl compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aconitane-type diterpenoid alkaloid - Acylaminobenzoic acid or derivatives - 1-phenylpyrrolidine - Benzoate ester - Quinolidine - Benzoic acid or derivatives - Alkaloid or derivatives - Benzoyl - Azepane - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Carboxylic acid imide, n-substituted - Piperidine - Pyrrolidone - 2-pyrrolidone - Dicarboximide - Carboxylic acid imide - Cyclic alcohol - Pyrrole - Pyrrolidine - Tertiary alcohol - 1,2-aminoalcohol - Amino acid or derivatives - 1,2-diol - Tertiary amine - Carboxylic acid ester - Lactam - Tertiary aliphatic amine - Dialkyl ether - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Alcohol - Organic oxygen 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
CHEBI:7657 : diterpenoid