Structure Information
Structure

Compound Identification

SMILES

[H][C@]12C[C@@]3([H])[C@@]4(CCC[C@]3(C)[C@@]3([H])OCCN3[C@]14[H])[C@]1([H])C[C@]3([H])CC[C@]21C[C@@]3([H])COCCN1C[C@]2(C)CCC[C@@]34[C@]5([H])C[C@]6([H])CC[C@@]5([C@@]([H])(C[C@]23[H])[C@@]14[H])[C@]([H])(O)C6=C

InChIKey

InChIKey=KVOUULIRGZGBLJ-UNJXSXTNSA-N

Formula

C44H64N2O3

Mass

669.007

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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

Danudatine-type diterpenoid alkaloids

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Danudatine-type diterpenoid alkaloid - Alkaloid or derivatives - Azepane - Piperidine - Cyclic alcohol - Oxazolidine - Hemiaminal - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organopnictogen compound - Alcohol - Organooxygen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxygen compound - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as danudatine-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the danudatine skeleton, which is a hexacyclic compound with an additional C-20-C7 bond in the atisine skeleton.

External Descriptors

Not available

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