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 c12ccc(c(c1)Oc1ccc(cc1)C[C@@H]1N(=O)(CCc3c1cc(c(c3)OC)Oc1c3[C@H](C2)N(CCc3cc(c1OC)OC)C)C)OC
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.
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