PCIDB

KNApSAcK Metabolite C00030930

Metabolite

KNApSAcK Entry

id C00030930
Name Parrisaponin
CAS RN 50773-42-7
Standard InChI InChI=1S/C51H82O20/c1-21-8-15-51(63-19-21)22(2)32-27(71-51)17-31-49(6)12-9-25-16-26(10-13-48(25,5)30(49)11-14-50(31,32)7)66-47-43(70-46-40(60)37(57)34(54)24(4)65-46)41(61)42(28(18-52)67-47)69-44-38(58)35(55)29(20-62-44)68-45-39(59)36(56)33(53)23(3)64-45/h9,21-24,26-47,52-61H,8,10-20H2,1-7H3/t21-,22+,23+,24+,26+,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-/m1/s1
Standard InChI (Main Layer) InChI=1S/C51H82O20/c1-21-8-15-51(63-19-21)22(2)32-27(71-51)17-31-49(6)12-9-25-16-26(10-13-48(25,5)30(49)11-14-50(31,32)7)66-47-43(70-46-40(60)37(57)34(54)24(4)65-46)41(61)42(28(18-52)67-47)69-44-38(58)35(55)29(20-62-44)68-45-39(59)36(56)33(53)23(3)64-45/h9,21-24,26-47,52-61H,8,10-20H2,1-7H3

Cluster

Phytochemical cluster No. 11
KCF-S cluster No. 17

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN C067584

Related Disease

Diseases related to CTD interactions

2 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D008175 C067584 Lung Neoplasms therapeutic
21304274
D009362 C067584 Neoplasm Metastasis therapeutic
21304274