PCIDB

KNApSAcK Metabolite C00003518

Metabolite

KNApSAcK Entry

id C00003518
Name Ginsenoside Re
CAS RN 52286-59-6
Standard InChI InChI=1S/C48H82O18/c1-21(2)11-10-14-48(9,66-42-38(60)35(57)32(54)26(19-49)63-42)23-12-16-46(7)30(23)24(51)17-28-45(6)15-13-29(52)44(4,5)40(45)25(18-47(28,46)8)62-43-39(36(58)33(55)27(20-50)64-43)65-41-37(59)34(56)31(53)22(3)61-41/h11,22-43,49-60H,10,12-20H2,1-9H3/t22?,23-,24+,25-,26?,27?,28+,29-,30-,31-,32+,33+,34-,35-,36?,37?,38?,39?,40-,41-,42-,43+,45+,46+,47+,48-/m0/s1
Standard InChI (Main Layer) InChI=1S/C48H82O18/c1-21(2)11-10-14-48(9,66-42-38(60)35(57)32(54)26(19-49)63-42)23-12-16-46(7)30(23)24(51)17-28-45(6)15-13-29(52)44(4,5)40(45)25(18-47(28,46)8)62-43-39(36(58)33(55)27(20-50)64-43)65-41-37(59)34(56)31(53)22(3)61-41/h11,22-43,49-60H,10,12-20H2,1-9H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 11

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL510095

KEGG

By LinkDB C08944

CTD

By CAS RN C049864

Human Protein / Gene in interaction

2 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P11387 DNA topoisomerase 1 Isomerase CHEMBL510095 CHEMBL1111926 (1)
0 / 0
P11388 DNA topoisomerase 2-alpha Isomerase CHEMBL510095 CHEMBL1111927 (1)
0 / 0

Related Disease

Diseases related to CTD interactions

1 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D006948 C049864 Hyperkinesis marker/mechanism
15303264