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(O)CC57[C@H](O)C6=C

InChIKey

InChIKey=HTWLTBYTGNWREP-LQTSVSAZSA-N

Formula

C27H30N2O6

Mass

478.545

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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

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 - Quinolizidine - Azaspirodecane - Benzoate ester - Alkaloid or derivatives - Nitrobenzene - Isoindole or derivatives - Isoindoline - Indole or derivatives - Indolizidine - Benzoic acid or derivatives - Benzoyl - Nitroaromatic compound - Azepane - N-alkylpyrrolidine - Piperidine - Benzenoid - Monocyclic benzene moiety - Cyclic alcohol - Pyrrolidine - Hemiaminal - Organic nitro compound - C-nitro compound - Secondary alcohol - Carboxylic acid ester - Alkanolamine - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Alcohol - 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

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