input word = C00001741

Metabolite InformationStructural formula
Name Ibogaine
Formula C20H26N2O
Mw 310.20451347
CAS RN 83-74-9
C_ID C00001741 ,
InChIKey HSIBGVUMFOSJPD-XFDNAQDDNA-N
InChICode InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13+,17+,20+/m1/s1
SMILES c1(ccc2c(c1)c1c([nH]2)[C@H]2[C@H]3N(CC1)C[C@@H](C2)C[C@@H]3CC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeErvatamia officinalis Ref.
PlantaeApocynaceaeTabernaemontana bovina Ref.
PlantaeApocynaceaeTabernanthe iboga Ref.
PlantaeApocynaceaeTrachelospermum jasminoides Ref.
PlantaeApocynaceaeVoacanga thouarsii Ref.
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OrganismTabernanthe iboga
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter20