input word = C00025348

Metabolite InformationStructural formula
Name Tetrandrine mono-N-2'-oxide
Tetrandrine 2'beta-N-oxide
Tetrandrine N-2'-oxide
Formula C38H42N2O7
Mw 638.29920171
CAS RN 62828-25-5
C_ID C00025348 ,
InChIKey XOKSQIGOCSEXEF-LXXWHHAMNA-N
InChICode InChI=1S/C38H42N2O7/c1-39-15-13-26-21-35(44-5)37(45-6)38-36(26)29(39)17-24-9-12-31(42-3)33(19-24)46-27-10-7-23(8-11-27)18-30-28-22-34(47-38)32(43-4)20-25(28)14-16-40(30,2)41/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-,40+/m0/s1
SMILES COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N+]1(C)[O-])Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
PlantaeMenispermaceaeCyclea barbata Miers Ref.
PlantaeMenispermaceaeCyclea peltata Diels Ref.
PlantaeSolanaceaeAnthocercis viscosa R.Br Ref.
PlantaeSolanaceaeDatura cornigera Hook Ref.
PlantaeSolanaceaeSchizanthus hookerii Ref.
PlantaeSolanaceaeSchizanthus littoralis Ref.
zoom in



OrganismCyclea barbata Miers
ReferenceDahmen,Arch.Pharm.(Weinheim Ger.),310,(1977),95