input word = C00052430

Metabolite InformationStructural formula
Name Vindesine
Formula C43H55N5O7
Mw 753.41014915
CAS RN 53643-48-4
C_ID C00052430
InChIKey HHJUWIANJFBDHT-RQOXPLONSA-N
InChICode InChI=1S/C43H55N5O7/c1-6-39(52)21-25-22-42(38(51)55-5,33-27(13-17-47(23-25)24-39)26-11-8-9-12-30(26)45-33)29-19-28-31(20-32(29)54-4)46(3)35-41(28)15-18-48-16-10-14-40(7-2,34(41)48)36(49)43(35,53)37(44)50/h8-12,14,19-20,25,34-36,45,49,52-53H,6-7,13,15-18,21-24H2,1-5H3,(H2,44,50)/t25-,34-,35+,36+,39+,40+,41+,42+,43-/m1/s1
SMILES CC[C@]1(O)C[C@H]2C[N@@](CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@@H]3[C@](O)(C(N)=O)[C@@H](O)[C@@]5(CC)C=CCN6CC[C@@]43[C@H]65)C2)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCatharanthus roseus Ref.
--Semisynthetic derivative Ref.
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OrganismCatharanthus roseus
Referencehttps://doi.org/10.1002/rcm.8037