input word = C00025719

Metabolite InformationStructural formula
Name 16-Epiaffinine
16-epi-Affinine
Formula C20H24N2O2
Mw 324.18377802
CAS RN 38990-09-9
C_ID C00025719 ,
InChIKey PXFBZOLANLWPMH-WFKXGORMNA-N
InChICode InChI=1S/C20H24N2O2/c1-3-12-10-22(2)18-8-15-13-6-4-5-7-17(13)21-20(15)19(24)9-14(12)16(18)11-23/h3-7,14,16,18,21,23H,8-11H2,1-2H3/b12-3-/t14-,16+,18-/m0/s1
SMILES C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]1C2CO
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeErvatamia officinalis Ref.
PlantaeApocynaceaePleiocarpa talbotii Ref.
PlantaeApocynaceaeTabernaemontana heyneana Ref.
PlantaeApocynaceaeTabernaemontana pachysiphon Stapf. Ref.
zoom in



OrganismTabernaemontana heyneana
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 4, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.