input word = C00025157

Metabolite InformationStructural formula
Name Cadambine
Formula C27H32N2O10
Mw 544.20569526
CAS RN 54422-49-0
C_ID C00025157 ,
InChIKey OVRROYYXOBYCSR-CZAVMTDFNA-N
InChICode InChI=1S/C27H32N2O10/c1-35-24(34)15-11-36-25(38-26-22(33)21(32)20(31)18(10-30)37-26)19-14(15)8-27-23-13(6-7-29(27)9-17(19)39-27)12-4-2-3-5-16(12)28-23/h2-5,11,14,17-22,25-26,28,30-33H,6-10H2,1H3/t14-,17+,18-,19+,20+,21+,22+,25+,26+,27+/m1/s1
SMILES C1=C([C@@H]2[C@H]([C@@H](O1)O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@@H]1O)CO)[C@@H]1CN3[C@](C2)(c2c(CC3)c3c([nH]2)cccc3)O1)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeAdina cordifolia Hook.f. Ref.
PlantaeRubiaceaeAnthocephalus cadamba Ref.
PlantaeRubiaceaeNauclea cadamba ROXB. Ref.
PlantaeRubiaceaeUncaria rhynchophylla Ref.
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OrganismNauclea cadamba ROXB.
ReferenceTakayama,Chem.Pharm.Bull.,51,(2003),232