PCIDB

KNApSAcK Metabolite C00030461

Metabolite

KNApSAcK Entry

id C00030461
Name Hederasaponin B
CAS RN 36284-77-2
Standard InChI InChI=1S/C59H96O25/c1-24-34(62)38(66)42(70)49(77-24)82-46-29(21-60)79-48(45(73)41(46)69)76-23-30-37(65)40(68)44(72)51(80-30)84-53(74)59-18-16-54(3,4)20-27(59)26-10-11-32-56(7)14-13-33(55(5,6)31(56)12-15-58(32,9)57(26,8)17-19-59)81-52-47(36(64)28(61)22-75-52)83-50-43(71)39(67)35(63)25(2)78-50/h10,24-25,27-52,60-73H,11-23H2,1-9H3/t24-,25-,27-,28-,29+,30+,31-,32+,33-,34-,35-,36-,37+,38+,39+,40-,41+,42+,43+,44+,45+,46+,47+,48+,49-,50-,51-,52-,56-,57+,58+,59-/m0/s1
Standard InChI (Main Layer) InChI=1S/C59H96O25/c1-24-34(62)38(66)42(70)49(77-24)82-46-29(21-60)79-48(45(73)41(46)69)76-23-30-37(65)40(68)44(72)51(80-30)84-53(74)59-18-16-54(3,4)20-27(59)26-10-11-32-56(7)14-13-33(55(5,6)31(56)12-15-58(32,9)57(26,8)17-19-59)81-52-47(36(64)28(61)22-75-52)83-50-43(71)39(67)35(63)25(2)78-50/h10,24-25,27-52,60-73H,11-23H2,1-9H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 4

Link

ChEMBL

By standard InChI CHEMBL506880
By standard InChI Main Layer CHEMBL506829 CHEMBL506880

KEGG

By LinkDB

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)
P35354 Prostaglandin G/H synthase 2 Oxidoreductase CHEMBL506880 CHEMBL1177375 (1)
0 / 3
P23219 Prostaglandin G/H synthase 1 Oxidoreductase CHEMBL506880 CHEMBL1177376 (1)
0 / 0
P16233 Pancreatic triacylglycerol lipase Hydrolase CHEMBL506880 CHEMBL972809 (1)
0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

KEGG DISEASE (3)

KEGG disease name UniProt
H00017 Esophageal cancer P35354 (related)
H00025 Penile cancer P35354 (related)
H00046 Cholangiocarcinoma P35354 (related)