input word = C00025682

Metabolite InformationStructural formula
Name (+)-Pendilinine
N2-Demethyl-O,O-dimethylpendulinine
O,O-Dimethyl-2'-N-demethylpendulinine
O-Methylpendine
Pendilinine
Formula C36H36N2O6
Mw 592.2573369
CAS RN 142617-86-5
C_ID C00025682 ,
InChIKey NKNPUQYNGSLMLK-UHFFFAOYNA-N
InChICode InChI=1S/C36H36N2O6/c1-38-14-12-23-19-30(41-4)34-36-32(23)26(38)16-21-7-10-27(39-2)28(17-21)42-24-8-5-20(6-9-24)15-25-31-22(11-13-37-25)18-29(40-3)33(44-36)35(31)43-34/h5-10,17-19,25-26,37H,11-16H2,1-4H3/t25-,26-/m1/s1
SMILES c1c2c(ccc1C[C@@H]1c3c(cc(c4c3Oc3c(O4)c4c(cc3OC)CCN[C@@H]4Cc3ccc(cc3)O2)OC)CCN1C)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeMenispermaceaeCocculus pendulus (Forsk.) Diels Ref.
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