input word = C00001843

Metabolite InformationStructural formula
Name (+)-Daphnandrine
O12'-Methyldaphnoline
Daphnandrine
Formula C36H38N2O6
Mw 594.27298696
CAS RN 1183-76-2
C_ID C00001843 ,
InChIKey REKCBEFSIKOPTD-YBFHJACQNA-N
InChICode InChI=1S/C36H38N2O6/c1-38-14-12-24-19-33(42-4)35(39)36-34(24)28(38)16-21-5-8-25(9-6-21)43-31-17-22(7-10-29(31)40-2)15-27-26-20-32(44-36)30(41-3)18-23(26)11-13-37-27/h5-10,17-20,27-28,37,39H,11-16H2,1-4H3/t27-,28+/m1/s1
SMILES c12c3c(c(c(c1)OC)O)Oc1c(cc4c(c1)[C@H](NCC4)Cc1ccc(c(c1)Oc1ccc(cc1)C[C@@H]3N(CC2)C)OC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeMenispermaceaeAnisocycla cymosa Ref.
PlantaeMenispermaceaeStephania erecta Ref.
PlantaeMenispermaceaeStephania pierrei Diels Ref.
PlantaeMonimiaceaeDaphnandra micrantha Ref.
PlantaeMonimiaceaeDoryphora aromatica Ref.
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OrganismDoryphora aromatica
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21