input word = C00001752

Metabolite InformationStructural formula
Name Mitraphylline
Formula C21H24N2O4
Mw 368.17360727
CAS RN 509-80-8
C_ID C00001752 ,
InChIKey JMIAZDVHNCCPDM-KRPCLKTGNA-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+/m0/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
PlantaeApocynaceaeCatharanthus roseus Ref.
PlantaeRubiaceaeMitragyna hirsuta Ref.
PlantaeRubiaceaeMitragyna macrophylla Ref.
PlantaeRubiaceaeMitragyna parvifolia Ref.
PlantaeRubiaceaeMitragyna rubrostipula Ref.
PlantaeRubiaceaeUncaria africana Ref.
PlantaeRubiaceaeUncaria attenuata Ref.
PlantaeRubiaceaeUncaria callophylla Ref.
PlantaeRubiaceaeUncaria elliptica Ref.
PlantaeRubiaceaeUncaria gambir Ref.
PlantaeRubiaceaeUncaria guianensis Ref.
PlantaeRubiaceaeUncaria hirsuta Ref.
PlantaeRubiaceaeUncaria homomalla Ref.
PlantaeRubiaceaeUncaria kawakamii Ref.
PlantaeRubiaceaeUncaria laevigata Ref.
PlantaeRubiaceaeUncaria lancifolia Ref.
PlantaeRubiaceaeUncaria lanosa Ref.
PlantaeRubiaceaeUncaria longiflora Ref.
PlantaeRubiaceaeUncaria orientalis Ref.
PlantaeRubiaceaeUncaria scandens Ref.
PlantaeRubiaceaeUncaria sessilifructus Ref.
PlantaeRubiaceaeUncaria tomentosa Ref.
PlantaeRubiaceaeUncaria veluntina Ref.
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