input word = C00001772

Metabolite InformationStructural formula
Name Tabernanthine
Formula C20H26N2O
Mw 310.20451347
CAS RN 83-94-3
C_ID C00001772 ,
InChIKey UCIDWKVIQZIKEK-XFDNAQDDNA-N
InChICode InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-16(6-7-22(11-12)20(13)17)15-5-4-14(23-2)10-18(15)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13+,17+,20+/m1/s1
SMILES [nH]1c2c(c3c1cc(cc3)OC)CCN1[C@@H]3[C@H]2C[C@@H](C[C@@H]3CC)C1
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeConopharyngia spp. Ref.
PlantaeApocynaceaeStemmadenia donnell-smithii Ref.
PlantaeApocynaceaeStemmadenia spp. Ref.
PlantaeApocynaceaeTabernaemontana spp. Ref.
PlantaeApocynaceaeTabernanthe iboga Ref.
--family Apocinaceae spp. Ref.
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OrganismStemmadenia spp.
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter20