PCIDB

KNApSAcK Metabolite C00003592

Metabolite

KNApSAcK Entry

id C00003592
Name Smilagenin / Isosarsasapogenin
CAS RN 126-18-1
Standard InChI InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17+,18-,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
Standard InChI (Main Layer) InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3

Cluster

Phytochemical cluster No. 11
KCF-S cluster No. 171

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL43871 CHEMBL1171146 CHEMBL1475613

KEGG

By LinkDB C08913

CTD

By CAS RN

Human Protein / Gene in interaction

3 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P22310 UDP-glucuronosyltransferase 1-4 Enzyme CHEMBL43871 CHEMBL816283 (1) CHEMBL1908081 (1)
CHEMBL1908082 (1)
3 / 0
P22309 UDP-glucuronosyltransferase 1-1 Enzyme CHEMBL43871 CHEMBL1908080 (1)
5 / 1
B2RXH2 Lysine-specific demethylase 4E Enzyme CHEMBL1475613 CHEMBL1613914 (1)
0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (5)

OMIM preferred title UniProt
#601816 Bilirubin, serum level of, quantitative trait locus 1; biliqtl1 P22309
#218800 Crigler-najjar syndrome, type i P22309
P22310
#606785 Crigler-najjar syndrome, type ii P22309
P22310
#143500 Gilbert syndrome P22309
P22310
#237900 Hyperbilirubinemia, transient familial neonatal; hblrtfn P22309

KEGG DISEASE (1)

KEGG disease name UniProt
H00208 Hyperbilirubinemia P22309 (related)