wilforgine
AlkaPlorer ID: AK004647
Synonym: 'Wilforgin', '(8alpha)-8-(Acetyloxy)-O2-deacetyl-8-deoxo-O2-(3-furanylcarbonyl)evonimine', 'Wilforgine'
IUPAC Name: [(1R,3R,15R,18R,19S,20R,21R,22R,23S,24S,25R,26R)-20,22,23,25-tetraacetyloxy-21-(acetyloxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-19-yl] furan-3-carboxylate
Structure
SMILES: CC(=O)OC[C@@]12[C@@H](OC(C)=O)[C@H](OC(=O)C3=COC=C3)[C@H]3OC(=O)[C@H](C)CCC4=NC=CC=C4C(=O)OC[C@]4(C)O[C@]1([C@H](OC(C)=O)[C@@H]4[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]3(C)O
InChI: InChI=1S/C41H47NO19/c1-19-11-12-27-26(10-9-14-42-27)37(50)54-17-38(7)28-29(55-21(3)44)33(57-23(5)46)40(18-53-20(2)43)34(58-24(6)47)30(59-36(49)25-13-15-52-16-25)32(60-35(19)48)39(8,51)41(40,61-38)31(28)56-22(4)45/h9-10,13-16,19,28-34,51H,11-12,17-18H2,1-8H3/t19-,28+,29+,30-,31-,32-,33+,34+,38+,39-,40-,41-/m1/s1
InChIKey: QFIYSPKZWOALMZ-DEHZKUSHSA-N
Reference
Alkaloids from Tripterygium wilfordii Hook: Wilforgine and Wilfortrine<sup>1</sup>
PubChem CID: 162903125
LOTUS: LTS0090520
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tripterygium hypoglaucum | Tripterygium | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 857.815
TPSA？: 265.89
MolLogP？: 1.7495000000000025
Number of H-Donors: 1
Number of H-Acceptors: 20
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|