input word = C00056239

Metabolite InformationStructural formula
Name Tripterygiumine K
Formula C39H45NO16
Mw 783.2738344
CAS RN 1616264-68-6
C_ID C00056239
InChIKey CXMPYBYBZVCKFE-UHFFFAOYSA-N
InChICode InChI=1S/C39H45NO16/c1-18-19(2)33(46)55-30-27(44)31(53-21(4)42)38(17-51-34(47)23-12-9-8-10-13-23)32(54-22(5)43)28(52-20(3)41)25-29(45)39(38,37(30,7)49)56-36(25,6)16-50-35(48)24-14-11-15-40-26(18)24/h8-15,18-19,25,27-32,44-45,49H,16-17H2,1-7H3
SMILES CC(=O)OC1C2C(O)C34OC2(C)COC(=O)c2cccnc2C(C)C(C)C(=O)OC(C(O)C(OC(C)=O)C3(COC(=O)c2ccccc2)C1OC(C)=O)C4(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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OrganismTripterygium wilfordii
ReferenceLv, H. et al., Fitoterapia, 137, (2019), 104190.