input word = C00025541

Metabolite InformationStructural formula
Name Japindine
Formula C48H84N4S
Mw 748.64166944
CAS RN 52483-07-5
C_ID C00025541 ,
InChIKey ODRPJTSLIXXRAO-PUAGYYMQNA-N
InChICode InChI=1S/C48H84N4S/c1-30(50(7)8)38-16-18-40-36-14-12-32-28-34(20-24-45(32,3)42(36)22-26-47(38,40)5)49-44(53)52(11)35-21-25-46(4)33(29-35)13-15-37-41-19-17-39(31(2)51(9)10)48(41,6)27-23-43(37)46/h30-43H,12-29H2,1-11H3,(H,49,53)/t30-,31-,32+,33+,34+,35-,36+,37+,38-,39-,40-,41-,42+,43-,45-,46-,47-,48-/m1/s1
SMILES C1[C@@H](C[C@H]2[C@@](C1)([C@@H]1[C@@H](CC2)[C@@H]2[C@](CC1)([C@H](CC2)[C@H](N(C)C)C)C)C)NC(=S)N([C@@H]1CC[C@@]2([C@H](C1)CC[C@@H]1[C@H]2CC[C@]2([C@@H]1CC[C@@H]2[C@H](N(C)C)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp Cholesterol
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeChonemorpha macrophylla Ref.
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