input word = C00001771

Metabolite InformationStructural formula
Name Tabernamine
Formula C40H48N4O2
Mw 616.37772681
CAS RN 59626-92-5
C_ID C00001771 ,
InChIKey MTARGWPMLJBYNG-PAYZPCECNA-N
InChICode InChI=1S/C40H48N4O2/c1-5-23-15-22-16-32-37-28(13-14-44(20-22)39(23)32)27-12-11-25(17-34(27)42-37)30-18-29-24(6-2)21-43(3)35(36(29)40(45)46-4)19-31-26-9-7-8-10-33(26)41-38(30)31/h6-12,17,22-23,29-30,32,35-36,39,41-42H,5,13-16,18-21H2,1-4H3/b24-6-/t22-,23+,29-,30-,32+,35-,36+,39+/m1/s1
SMILES [nH]1c2c(c3c1cc(cc3)[C@H]1C[C@H]3[C@@H]([C@@H](Cc4c1[nH]c1c4cccc1)N(C/C/3=C/C)C)C(=O)OC)CCN1[C@@H]3[C@H]2C[C@@H](C[C@@H]3CC)C1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeTabernaemontana johnstonii Ref.
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