Compound Identification
SMILES
CCN1CC2(COC)C3C(OC)C4C1C3(C1CC3(O)C(OC(=O)C5=CC(OC)=C(OC)C=C5)C1C4(CC3OC)OC(C)=O)C(CC2O)OC
InChIKey
InChIKey=YVPYMQHYESYLIR-UHFFFAOYSA-N
Formula
C36H51NO12
Mass
689.799
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
M-methoxybenzoic acids and derivatives P-methoxybenzoic acids and derivatives Benzoic acid esters Dimethoxybenzenes Quinolidines Alkaloids and derivatives Phenoxy compounds Anisoles Benzoyl derivatives Azepanes Alkyl aryl ethers Piperidines Dicarboxylic acids and derivatives Tertiary alcohols Secondary alcohols Amino acids and derivatives Trialkylamines Carboxylic acid esters Cyclic alcohols and derivatives Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aconitane-type diterpenoid alkaloid - M-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Benzoate ester - Quinolidine - Dimethoxybenzene - O-dimethoxybenzene - Benzoic acid or derivatives - Alkaloid or derivatives - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Azepane - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Piperidine - Tertiary alcohol - Cyclic alcohol - Amino acid or derivatives - Tertiary aliphatic amine - Secondary alcohol - Carboxylic acid ester - Tertiary amine - Organoheterocyclic compound - Ether - Dialkyl ether - Azacycle - Carboxylic acid derivative - Organooxygen compound - Amine - Alcohol - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen 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