input word = C00025823

Metabolite InformationStructural formula
Name Conoduramine
Formula C43H52N4O5
Mw 704.3937708
CAS RN 2580-82-7
C_ID C00025823 ,
InChIKey IJKBITBRKHUQJS-JAHAZDFLNA-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)29-17-30(36(50-4)19-34(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-/m0/s1
SMILES C/C=C1/CN(C)C2Cc3c([nH]c4ccccc34)C(c3cc4c5c([nH]c4cc3OC)C3(C(=O)OC)CC4CC(CC)C3N(CC5)C4)CC1C2C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeConopharyngia durissima Ref.
PlantaeApocynaceaeTabernaemontana crassa Benth. Ref.
PlantaeApocynaceaeTabernaemontana johnstonii (Stapf) Pichon Ref.
PlantaeApocynaceaeTabernaemontana pachysiphon Stapf. Ref.
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OrganismTabernaemontana johnstonii (Stapf) Pichon
ReferenceKingston,J.Pharm.Sci.,67,(1978),249