PCIDB

KNApSAcK Metabolite C00025275

Metabolite

KNApSAcK Entry

id C00025275
Name Homoaromoline / Homothalicrine / (+)-Homoaromoline / (+)-Thalrugosamine
CAS RN 17132-74-0
Standard InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)17-23-8-11-30(41-3)32(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)20-34(43-5)36(40)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m1/s1
Standard InChI (Main Layer) InChI=1S/C37H40N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)17-23-8-11-30(41-3)32(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)20-34(43-5)36(40)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3

Cluster

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

Link

ChEMBL

By standard InChI CHEMBL509855
By standard InChI Main Layer CHEMBL507220 CHEMBL503522 CHEMBL509855 CHEMBL1185978

KEGG

By LinkDB

CTD

By CAS RN