Metabolite

KNApSAcK Entry

id C00001843
Name Daphnandrine / (+)-Daphnandrine / O12'-Methyldaphnoline
CAS RN 1183-76-2
Standard InChI 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
Standard InChI (Main Layer) 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

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 10

Link

ChEMBL

By standard InChI CHEMBL510612
By standard InChI Main Layer CHEMBL502441 CHEMBL510612

KEGG

By LinkDB C09415

CTD

By CAS RN