Molecule

Gigactonine

AlkaPlorer ID: AK000381

Synonym: None

IUPAC Name: (1S,2R,3R,5R,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-13-(hydroxymethyl)-4,6,18-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,9,16-triol

Structure

SMILES: CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@](C31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5C6OC)OC)O)O)OC)O)CO

InChI: InChI=1S/C24H39NO7/c1-5-25-10-21(11-26)7-6-15(27)23-13-8-12-14(30-2)9-22(28,16(13)17(12)31-3)24(29,20(23)25)19(32-4)18(21)23/h12-20,26-29H,5-11H2,1-4H3/t12-,13-,14+,15+,16-,17?,18-,19+,20?,21+,22-,23+,24-/m1/s1

InChIKey: DKODPYKVVJKLFU-HFHZHQIESA-N

Reference

Ajadinine: A New Norditerpenoid Alkaloid from the Seeds of Delphinium ajacis. The Complete Nmr Assignments for Some Lycoctonine-Type Alkaloids

PubChem CID: 165340075

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Delphinium cyphoplectrum	Delphinium	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Consolida ajacis	Consolida	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Aconitum	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aconitum lycoctonum	Aconitum	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Consolida orientalis	Consolida	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aconitum moldavicum	Aconitum	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Aconitum	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 453.5760000000002

TPSA？: 111.85000000000002

MolLogP？: -0.38309999999999733

Number of H-Donors: 4

Number of H-Acceptors: 8

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi