input word = C00028061

Metabolite InformationStructural formula
Name Cissampentine
Formula C37H40N2O6
Mw 608.28863702
CAS RN 147451-90-9
C_ID C00028061 ,
InChIKey OQUNWHJYHYDNNX-UHFFFAOYNA-N
InChICode InChI=1S/C37H40N2O6/c1-38-12-11-25-16-33(42-3)34-19-28(25)30(38)14-22-5-7-23(8-6-22)21-44-37-35(43-4)17-26-20-39(2)27(18-29(26)36(37)41)13-24-9-10-31(40)32(15-24)45-34/h5-10,15-17,19,27,30,40-41H,11-14,18,20-21H2,1-4H3/t27-,30-/m1/s1
SMILES c12c(cc3c(c1)[C@H](N(CC3)C)Cc1ccc(COc3c(c4C[C@@H](Cc5cc(O2)c(cc5)O)N(Cc4cc3OC)C)O)cc1)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeMenispermaceaeCissampelos fasciculata Ref.
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OrganismCissampelos fasciculata
ReferenceGalinis,Tetrahedron,49,(1993),1337