PCIDB

KNApSAcK Metabolite C00025185

Metabolite

KNApSAcK Entry

id C00025185
Name Javaphylline
CAS RN 17138-12-4
Standard InChI InChI=1S/C22H26N2O5/c1-12-14-10-24-8-7-22(18(24)9-13(14)15(11-29-12)20(25)28-3)19-16(23-21(22)26)5-4-6-17(19)27-2/h4-6,11-14,18H,7-10H2,1-3H3,(H,23,26)/t12-,13-,14+,18-,22+/m0/s1
Standard InChI (Main Layer) InChI=1S/C22H26N2O5/c1-12-14-10-24-8-7-22(18(24)9-13(14)15(11-29-12)20(25)28-3)19-16(23-21(22)26)5-4-6-17(19)27-2/h4-6,11-14,18H,7-10H2,1-3H3,(H,23,26)

Cluster

Phytochemical cluster
KCF-S cluster No. 154

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN