PCIDB

KNApSAcK Metabolite C00003553

Metabolite

KNApSAcK Entry

id C00003553
Name Soyasaponin I
CAS RN 51330-27-9
Standard InChI InChI=1S/C48H78O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-38,40-42,49-58H,10-20H2,1-8H3,(H,59,60)/t21?,23-,24?,25+,26+,27+,28-,29-,30-,31-,32-,33-,34-,35?,36?,37?,38?,40-,41-,42+,44+,45-,46-,47+,48+/m0/s1
Standard InChI (Main Layer) InChI=1S/C48H78O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-38,40-42,49-58H,10-20H2,1-8H3,(H,59,60)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 9

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL511016

KEGG

By LinkDB C08983

CTD

By CAS RN C056684

Human Protein / Gene in interaction

CTD interaction (2)

compound gene gene name gene description interaction interaction type form reference
pmid
C056684 5972 REN
HNFJ2
renin (EC:3.4.23.15) soyasaponin I results in decreased activity of REN protein decreases activity
protein 19060406
20460744
C056684 6484 ST3GAL4
CGS23
NANTA3
SAT3
SIAT4
SIAT4C
ST3GalIV
STZ
ST3 beta-galactoside alpha-2,3-sialyltransferase 4 (EC:2.4.99.4) soyasaponin I results in decreased expression of ST3GAL4 mRNA decreases expression
mRNA 15661230

Related Disease

Diseases related to CTD interactions

1 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D003092 C056684 Colitis therapeutic
20923188