input word = C00025217

Metabolite InformationStructural formula
Name Uncarine A
Isoformosanine
Formula C21H24N2O4
Mw 368.17360727
CAS RN 6899-73-6
C_ID C00025217 ,
InChIKey JMIAZDVHNCCPDM-VFNJITMSNA-N
InChICode InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13+,14-,18+,21+/m1/s1
SMILES COC(=O)C1=CO[C@H](C)[C@H]2CN3CC[C@@]4(C(=O)Nc5ccccc54)[C@@H]3C[C@H]12
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeOurouparia formosana Ref.
PlantaeRubiaceaeUncaria elliptica R.Br.ex G.Don. Ref.
PlantaeRubiaceaeUncaria sinensis Ref.
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OrganismUncaria sinensis
ReferenceChinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999)