Guiwuline
AlkaPlorer ID: AK005343
Synonym: None
IUPAC Name: (1R,2R,3S,4R,5S,6R,7S,10R,15S,18S,19R)-13-ethyl-6,18-dimethoxy-15-(methoxymethyl)-11-oxa-13-azahexacyclo[8.8.1.12,5.01,12.03,8.015,19]icos-8-ene-4,7-diol
Structure
SMILES: CCN1C[C@@]2(CC[C@@H]([C@]34[C@@H]2[C@@H](C=C5[C@@H]6[C@H]3C[C@@H]([C@@H]6O)[C@H]([C@H]5O)OC)OC41)OC)COC
InChI: InChI=1S/C24H37NO6/c1-5-25-10-23(11-28-2)7-6-16(29-3)24-14-8-13-18(26)17(14)12(19(27)20(13)30-4)9-15(21(23)24)31-22(24)25/h9,13-22,26-27H,5-8,10-11H2,1-4H3/t13-,14+,15+,16-,17+,18-,19-,20+,21+,22?,23-,24-/m0/s1
InChIKey: RXWPDIDWONSWKJ-VSWXTFTHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum ouvrardianum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 435.56100000000026
TPSA？: 80.62000000000002
MolLogP？: 1.033700000000001
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | Mus musculus | ED50 | 15.0 | mg.kg-1 | 10.1016/j.bmcl.2012.04.132 |
| Mus musculus | Mus musculus | LD50 | 500.0 | mg.kg-1 | 10.1016/j.bmcl.2012.04.132 |
| None | ADMET | Ratio LD50/ED50 | 33.0 | None | 10.1016/j.bmcl.2012.04.132 |