input word = C00001816

Metabolite InformationStructural formula
Name (+)-Bebeerine
Formula C36H38N2O6
Mw 594.27298696
CAS RN 477-60-1
C_ID C00001816 ,
InChIKey NGZXDRGWBULKFA-LEFKRGDZNA-N
InChICode InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-36-34-24(19-33(42-4)35(36)40)12-14-38(2)28(34)16-22-7-10-29(39)30(17-22)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28-/m1/s1
SMILES COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c(O)c4Oc4ccc(cc4)C[C@H]3N(C)CC2)CCN1C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeBuxaceaeBuxus sempervirens Ref.
PlantaeLauraceaeNectandra rodioei Ref.
PlantaeMenispermaceaeChondrodendron candicans Ref.
PlantaeMenispermaceaeChondrodendron platyphyllum Ref.
PlantaeMenispermaceaeChondrodendron tomentosum Ref.
PlantaeMenispermaceaeCissampelos pareira Ref.
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OrganismBuxus sempervirens
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21