Compound Identification
SMILES
CCN1CC2(COC(=O)C3=CC=CC=C3N3C(=O)CC(C)C3=O)CCC(OC)C34C5CC6C(OC)C5C5(C[C@@H]6OC)OCOC5(C(OC)C23)C14
InChIKey
InChIKey=KOWWOODYPWDWOJ-JNTXFKBISA-N
Formula
C38H50N2O10
Mass
694.822
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
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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
Aconitane-type diterpenoid alkaloids
Alternative Parents
Acylaminobenzoic acid and derivatives Phenylpyrrolidines Quinolidines Benzoic acid esters Alkaloids and derivatives Benzoyl derivatives Azepanes Piperidines N-substituted carboxylic acid imides Pyrrolidine-2-ones Pyrroles Dicarboximides 1,3-dioxolanes Amino acids and derivatives Lactams Trialkylamines Carboxylic acid esters Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Azacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds
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 - Carboxylic acid imide, n-substituted - Monocyclic benzene moiety - Piperidine - Pyrrolidone - 2-pyrrolidone - Benzenoid - Dicarboximide - Carboxylic acid imide - Pyrrolidine - Pyrrole - Meta-dioxolane - Tertiary aliphatic amine - Tertiary amine - Lactam - Carboxylic acid ester - Amino acid or derivatives - Oxacycle - Ether - Azacycle - Monocarboxylic acid or derivatives - Dialkyl ether - Acetal - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - 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
Not available