PCIDB

KNApSAcK Metabolite C00038989

Metabolite

KNApSAcK Entry

id C00038989
Name Deoxyisocalyciphylline B / (-)-Deoxyisocalyciphylline B
CAS RN 619326-75-9
Standard InChI InChI=1S/C22H31NO2/c1-13-12-23-19-16-5-3-4-14(16)6-7-17(19)21(2)22(11-9-18(24)25-21)10-8-15(13)20(22)23/h5,13-15,17,19-20H,3-4,6-12H2,1-2H3/t13-,14-,15-,17+,19+,20+,21+,22+/m1/s1
Standard InChI (Main Layer) InChI=1S/C22H31NO2/c1-13-12-23-19-16-5-3-4-14(16)6-7-17(19)21(2)22(11-9-18(24)25-21)10-8-15(13)20(22)23/h5,13-15,17,19-20H,3-4,6-12H2,1-2H3

Cluster

Phytochemical cluster
KCF-S cluster No. 1167

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN