PCIDB

KNApSAcK Metabolite C00027066

Metabolite

KNApSAcK Entry

id C00027066
Name Alstophylline
CAS RN 3382-41-0
Standard InChI InChI=1S/C22H26N2O3/c1-12(25)17-10-27-11-18-15(17)8-21-22-16(9-20(18)23(21)2)14-6-5-13(26-4)7-19(14)24(22)3/h5-7,10,15,18,20-21H,8-9,11H2,1-4H3/t15-,18+,20?,21?/m0/s1
Standard InChI (Main Layer) InChI=1S/C22H26N2O3/c1-12(25)17-10-27-11-18-15(17)8-21-22-16(9-20(18)23(21)2)14-6-5-13(26-4)7-19(14)24(22)3/h5-7,10,15,18,20-21H,8-9,11H2,1-4H3

Cluster

Phytochemical cluster
KCF-S cluster No. 1205

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

By CAS RN