input word = C00025064

Metabolite InformationStructural formula
Name (+)-Kopsoffinol
Kopsoffinol
Formula C40H48N4O3
Mw 632.37264143
CAS RN 96935-25-0
C_ID C00025064 ,
InChIKey NKQJSTGACVZXMS-YMXWPPEKNA-N
InChICode InChI=1S/C40H48N4O3/c1-24(45)38-13-6-17-42-19-11-27-26-7-3-4-8-31(26)44(33(27)34(38)42)32(23-38)25-9-10-30-28(21-25)39-16-20-43-18-5-12-37(36(39)43)14-15-40(39,41-30)29(22-37)35(46)47-2/h3-4,7-10,21,24,29,32,34,36,41,45H,5-6,11-20,22-23H2,1-2H3/t24-,29+,32-,34-,36+,37-,38+,39-,40-/m1/s1
SMILES C1CC[C@@]2([C@@H]3N1CCc1c3n([C@H](C2)c2ccc3c(c2)[C@]24[C@@]5(N3)CC[C@@]3([C@@H]4N(CCC3)CC2)C[C@H]5C(=O)OC)c2c1cccc2)[C@@H](C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro Secologanin IPP
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeKopsia dasyrachis Ref.
PlantaeApocynaceaeKopsia pauciflora Ref.
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OrganismKopsia pauciflora
ReferenceKan-Fan,J.Nat.Prod.,48,(1985),124