Molecule

Pseudokobusine

AlkaPlorer ID: AK044953

Synonym: '', 'Psedokobusine', 'SMR000470777', 'MLS000728590'

IUPAC Name: (1R,5S,8R,9S,11R,13R,14R,16R,17R,18S,19S)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-13,16,19-triol

Structure

SMILES: C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@]3(C[C@@]5(O)[C@H]67)[C@@H]1O

InChI: InChI=1S/C20H27NO3/c1-9-10-6-11-14-18-5-3-4-17(2)8-21(14)20(24,16(17)18)7-19(11,15(9)23)13(18)12(10)22/h10-16,22-24H,1,3-8H2,2H3/t10-,11-,12+,13+,14-,15-,16-,17-,18+,19-,20-/m1/s1

InChIKey: VDBKGYFMEGDQHS-IQERANHESA-N

Reference

Two New C20-Diterpenoid Alkaloids from Aconitum yesoense var. macroyesoense (Nakai) Tamura, Structures of Dehydrolucidusculine and N-Deethyldehydrolucidusculine

PubChem CID: 102067313

LOTUS: LTS0164022

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aconitum talassicum	Aconitum	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 329.44

TPSA？: 63.93000000000001

MolLogP？: 1.1132

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 9

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi