input word = C00013193

Metabolite InformationStructural formula
Name Wilforine
(8alpha)-8-(Acetyloxy)-O2-benzoyl-O2-deacetyl-8-deoxoevonimine
Formula C43H49NO18
Mw 867.29496377
CAS RN 11088-09-8
C_ID C00013193 ,
InChIKey ZOCKGJZEUVPPPI-UHFFFAOYNA-N
InChICode InChI=1S/C43H49NO18/c1-21-16-17-29-28(15-12-18-44-29)39(52)55-19-40(7)30-31(56-23(3)46)35(58-25(5)48)42(20-54-22(2)45)36(59-26(6)49)32(60-38(51)27-13-10-9-11-14-27)34(61-37(21)50)41(8,53)43(42,62-40)33(30)57-24(4)47/h9-15,18,21,30-36,53H,16-17,19-20H2,1-8H3/t21-,30+,31+,32-,33-,34-,35-,36-,40+,41-,42-,43-/m0/s1
SMILES [C@@H]12[C@@]3(O[C@@]4([C@]([C@H]([C@H]([C@@H]([C@]4(C)O)OC(=O)[C@H](CCc4c(C(=O)OC3)cccn4)C)OC(=O)c3ccccc3)OC(=O)C)([C@H]([C@@H]1OC(=O)C)OC(=O)C)COC(=O)C)[C@H]2OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCynanchum wilfordi hemsl. Ref.
PlantaeCelastraceaeMaytenus laevis Ref.
PlantaeCelastraceaeMaytenus senegalensis Ref.
PlantaeCelastraceaeTripterygium hypoglaucum Hook.f. Ref.
PlantaeCelastraceaeTripterygium wilfordii Ref.
zoom in



OrganismCynanchum wilfordi hemsl.
ReferenceHayashi,Chem.Pharm.Bull.,23,(1975),139