input word = C00025891

Metabolite InformationStructural formula
Name Ibogaine hydroxyindolenine
Formula C20H26N2O2
Mw 326.19942809
CAS RN 20454-39-1
C_ID C00025891 ,
InChIKey PVTVZKZLDGQLIV-LUZMBWNBNA-N
InChICode InChI=1S/C20H26N2O2/c1-3-13-8-12-9-15-18(13)22(11-12)7-6-20(23)16-10-14(24-2)4-5-17(16)21-19(15)20/h4-5,10,12-13,15,18,23H,3,6-9,11H2,1-2H3/t12-,13+,15-,18+,20+/m1/s1
SMILES c1(ccc2c(c1)[C@@]1(C(=N2)[C@H]2[C@H]3N(CC1)C[C@@H](C2)C[C@@H]3CC)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeErvatamia officinalis Ref.
PlantaeApocynaceaeTabernaemontana apoda Wr.ex Sauv. Ref.
zoom in



OrganismErvatamia officinalis
ReferenceB.Tang,J.Nat.Prod.,77,(2014),1839-1846