input word = C00025220

Metabolite InformationStructural formula
Name Speciophylline
Uncarine D
Uncarin D
Formula C21H24N2O4
Mw 368.17360727
CAS RN 4697-68-1
C_ID C00025220 ,
InChIKey JMIAZDVHNCCPDM-JAONAYNLNA-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 c1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2N(CC1)C[C@@H]1[C@H](C2)C(=CO[C@H]1C)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeMitragyna hirsuta Havil Ref.
PlantaeRubiaceaeMitragyna speciosa Korth. Ref.
PlantaeRubiaceaeUncaria attenuata Ref.
PlantaeRubiaceaeUncaria ferrea Ref.
PlantaeRubiaceaeUncaria guianensis Ref.
PlantaeRubiaceaeUncaria homomalla Miq. Ref.
PlantaeRubiaceaeUncaria laevigata Ref.
PlantaeRubiaceaeUncaria lanosa Ref.
PlantaeRubiaceaeUncaria longiflora Ref.
PlantaeRubiaceaeUncaria orientalis Ref.
PlantaeRubiaceaeUncaria scandens Ref.
PlantaeRubiaceaeUncaria sinensis Ref.
PlantaeRubiaceaeUncaria tomentosa Ref.
PlantaeRubiaceaeUncaria veluntina Ref.
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