Compound Identification
SMILES
CCN1CC2(COC)C3C(OC)C4C1C3(C1CC3(OC(C)=O)C(OC(=O)C5=CC=CC=C5)C1C4(CC3OC)OC(C)=O)C(CC2OC(C)=O)OC
InChIKey
InChIKey=BAKRCOYPPGTZGG-UHFFFAOYSA-N
Formula
C38H51NO12
Mass
713.821
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
Aconitane-type diterpenoid alkaloids
Alternative Parents
Tetracarboxylic acids and derivatives Quinolidines Benzoic acid esters Alkaloids and derivatives Benzoyl derivatives Azepanes Piperidines Carboxylic acid esters Trialkylamines Amino acids and derivatives Dialkyl ethers Azacyclic compounds Carbonyl compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aconitane-type diterpenoid alkaloid - Tetracarboxylic acid or derivatives - Benzoate ester - Quinolidine - Benzoic acid or derivatives - Alkaloid or derivatives - Benzoyl - Azepane - Monocyclic benzene moiety - Piperidine - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Dialkyl ether - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organooxygen 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