Structure Information
Structure

Compound Identification

SMILES

CCN1C[C@]2(COC(=O)C3=CC=CC=C3NC(=O)CCC(N)=O)CC[C@@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)C14

InChIKey

InChIKey=ZBALYAJAWGGUCX-DPXOICMOSA-N

Formula

C36H51N3O10

Mass

685.815

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

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