input word = C00041130

Metabolite InformationStructural formula
Name Tabernaebovine
(+)-Tabernaebovine
Formula C40H50N4O2
Mw 618.39337687
CAS RN 220327-17-3
C_ID C00041130 ,
InChIKey JGSVLTPLGGGCRI-NTSJLCFDNA-N
InChICode InChI=1S/C40H50N4O2/c1-5-36-14-13-31-38(17-19-43(34(36)38)22-29-32(36)45-29)26-21-24(11-12-27(26)41(31)3)40-16-15-37(6-2)33-30(46-33)23-44-20-18-39(40,35(37)44)25-9-7-8-10-28(25)42(40)4/h7-12,21,29-35H,5-6,13-20,22-23H2,1-4H3/t29-,30-,31+,32-,33-,34+,35+,36-,37-,38+,39-,40-/m1/s1
SMILES CC[C@@]12CC[C@@H]3N(C)c4ccc([C@]56CC[C@]7(CC)[C@@H]8O[C@@H]8CN8CC[C@@]5(c5ccccc5N6C)[C@@H]87)cc4[C@@]34CCN(C[C@H]3O[C@H]31)[C@@H]24
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeTabernaemontana bovina Ref.
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OrganismTabernaemontana bovina
ReferenceLien,Phytochem.,49,(1998),1797