Compound Identification
SMILES
CCN1CC2(COC)C3C(OC)C4[C@@H]1C3(C1CC3(O)C(OC(=O)C5=CC=C(OC)C=C5)C1C4(OC(C)=O)[C@@H](O)[C@H]3OC)C(CC2O)OC
InChIKey
InChIKey=MGTJNQWIXFSPLC-JYVHZSNQSA-N
Formula
C35H49NO12
Mass
675.772
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
P-methoxybenzoic acids and derivatives Benzoic acid esters Quinolidines Alkaloids and derivatives Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Azepanes Alkyl aryl ethers Piperidines Dicarboxylic acids and derivatives Tertiary alcohols Trialkylamines Amino acids and derivatives Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Polyols Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organopnictogen compounds Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aconitane-type diterpenoid alkaloid - P-methoxybenzoic acid or derivatives - Benzoate ester - Quinolidine - Benzoic acid or derivatives - Alkaloid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Phenol ether - Alkyl aryl ether - Azepane - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Piperidine - Tertiary alcohol - Cyclic alcohol - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Carboxylic acid ester - Polyol - Ether - Azacycle - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Amine - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Alcohol - 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