Structure Information
Structure

Compound Identification

SMILES

C[C@@]12CN3C4[C@@H]5C[C@H]6[C@H](OC(=O)C7=CC=C(C=C7)[N+]([O-])=O)[C@H]7[C@]4(CCC1)[C@@H]2[C@]3(CC57[C@H](OCC1=CC=CC=C1)C6=C)OC(=O)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=LJEGFBZNXYPMKW-CNLANCAJSA-N

Formula

C41H39N3O9

Mass

717.775

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

Villanovane, atisane, trachylobane or helvifulvane diterpenoids - Atisane diterpenoids

Direct Parent

Hetisine-type diterpenoid alkaloids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Hetisine-type diterpenoid alkaloid - Nitrobenzoate - Azaspirodecane - Quinolizidine - Benzoate ester - Alkaloid or derivatives - Benzoic acid or derivatives - Benzylether - Isoindole or derivatives - Indole or derivatives - Indolizidine - Nitrobenzene - Isoindoline - Benzoyl - Nitroaromatic compound - Azepane - Monocyclic benzene moiety - Piperidine - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - C-nitro compound - Organic nitro compound - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Dialkyl ether - Ether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as hetisine-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the hetisine skeleton, which is a heptacyclic compound with an additional N-C-6 bond as compared with the hetidine-type, and thus, is one of most complex entries in the atisane-class.

External Descriptors

Not available

Previous Back Next