input word = C00001785

Metabolite InformationStructural formula
Name Voacamine
Formula C43H52N4O5
Mw 704.3937708
CAS RN 3371-85-5
C_ID C00001785 ,
InChIKey VCMIRXRRQJNZJT-LFZUQHJTNA-N
InChICode InChI=1S/C43H52N4O5/c1-7-24-15-23-20-43(42(49)52-6)39-27(13-14-47(21-23)40(24)43)29-19-36(50-4)30(17-34(29)45-39)31-16-28-25(8-2)22-46(3)35(37(28)41(48)51-5)18-32-26-11-9-10-12-33(26)44-38(31)32/h8-12,17,19,23-24,28,31,35,37,40,44-45H,7,13-16,18,20-22H2,1-6H3/b25-8-/t23-,24+,28-,31-,35-,37+,40+,43-/m1/s1
SMILES c1cc2c(cc1)c1c([nH]2)[C@H](C[C@H]2[C@@H]([C@@H](C1)N(C/C/2=C/C)C)C(=O)OC)c1c(cc2c([nH]c3c2CCN2[C@@H]4[C@]3(C[C@@H](C[C@@H]4CC)C2)C(=O)OC)c1)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeHedranthera barteri Ref.
PlantaeApocynaceaePeschiera lacta Ref.
PlantaeApocynaceaeTabernaemontana arborea Ref.
PlantaeApocynaceaeTabernaemontana australis Ref.
PlantaeApocynaceaeTabernaemontana oppositifolia Ref.
PlantaeApocynaceaeVoacanga africana Ref.
PlantaeApocynaceaeVoacanga globosa Ref.
PlantaeApocynaceaeVoacanga grandiflora Ref.
PlantaeApocynaceaeVoacanga papuana Ref.
PlantaeApocynaceaeVoacanga thouarsii Ref.
--family Apocynaceae spp. Ref.
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OrganismVoacanga africana
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter20