PCIDB

KNApSAcK Metabolite C00003655

Metabolite

KNApSAcK Entry

id C00003655
Name Inokosterone
CAS RN 15130-85-5
Standard InChI InChI=1S/C27H44O7/c1-15(14-28)5-6-23(32)26(4,33)22-8-10-27(34)17-11-19(29)18-12-20(30)21(31)13-24(18,2)16(17)7-9-25(22,27)3/h11,15-16,18,20-23,28,30-34H,5-10,12-14H2,1-4H3/t15-,16+,18+,20-,21+,22+,23-,24-,25-,26-,27-/m1/s1
Standard InChI (Main Layer) InChI=1S/C27H44O7/c1-15(14-28)5-6-23(32)26(4,33)22-8-10-27(34)17-11-19(29)18-12-20(30)21(31)13-24(18,2)16(17)7-9-25(22,27)3/h11,15-16,18,20-23,28,30-34H,5-10,12-14H2,1-4H3

Cluster

Phytochemical cluster No. 11
KCF-S cluster No. 58

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL564971 CHEMBL1967672

KEGG

By LinkDB C08819

CTD

By CAS RN C100084