Structure Information
Structure

Compound Identification

SMILES

CCN1CC2(COC(=O)C3=CC=CC=C3NC(=O)CCC(O)=O)CCC(OC)C34C5CC6C(OC)C5C(CC6OC)(OC)C(O)(C(OC)C23)C14

InChIKey

InChIKey=PFBAICRBYGSZFK-UHFFFAOYSA-N

Formula

C37H52N2O11

Mass

700.826

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Aconitane-type diterpenoid alkaloid - Acylaminobenzoic acid or derivatives - Benzoate ester - Quinolidine - Benzoic acid or derivatives - Alkaloid or derivatives - Anilide - Benzoyl - N-arylamide - Azepane - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty amide - Piperidine - Benzenoid - Fatty acyl - Cyclic alcohol - Vinylogous amide - Tertiary alcohol - Carboxamide group - Carboxylic acid ester - Amino acid - 1,2-aminoalcohol - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Carboxylic acid - Ether - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Amine - Organonitrogen 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

Previous Back Next