Compound Identification
SMILES
CCN1CC2(COC)CCC(OC(=O)C3=CC=C(OC)C=C3)C34C5CC6C(OC(C)=O)C5C(CC6OC)(OC(C)=O)C(C(OC)C23)C14
InChIKey
InChIKey=PNRAXFNLVIQWJI-UHFFFAOYSA-N
Formula
C36H49NO10
Mass
655.785
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
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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
P-methoxybenzoic acids and derivatives Quinolidines Benzoic acid esters Tricarboxylic acids and derivatives Alkaloids and derivatives Anisoles Phenoxy compounds Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Azepanes Piperidines Carboxylic acid esters Trialkylamines Amino acids and derivatives Azacyclic compounds Dialkyl ethers Carbonyl compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aconitane-type diterpenoid alkaloid - P-methoxybenzoic acid or derivatives - Benzoate ester - Quinolidine - Benzoic acid or derivatives - Tricarboxylic acid or derivatives - Alkaloid or derivatives - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Azepane - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Piperidine - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organooxygen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - 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