PCIDB

KNApSAcK Metabolite C00031207

Metabolite

KNApSAcK Entry

id C00031207
Name Rotundifolioside I / (-)-Rotundifolioside I
CAS RN 626253-86-9
Standard InChI InChI=1S/C47H76O16/c1-21-9-15-46-20-58-47(38(46)22(21)2)16-11-27-43(6)13-12-29(42(4,5)26(43)10-14-44(27,7)45(47,8)17-28(46)50)61-40-36(33(54)30(51)23(3)59-40)63-41-37(34(55)32(53)25(18-48)60-41)62-39-35(56)31(52)24(49)19-57-39/h11,16,21-41,48-56H,9-10,12-15,17-20H2,1-8H3/t21-,22+,23-,24-,25-,26+,27-,28-,29+,30+,31+,32-,33+,34+,35-,36-,37-,38-,39+,40+,41+,43+,44-,45+,46+,47+/m1/s1
Standard InChI (Main Layer) InChI=1S/C47H76O16/c1-21-9-15-46-20-58-47(38(46)22(21)2)16-11-27-43(6)13-12-29(42(4,5)26(43)10-14-44(27,7)45(47,8)17-28(46)50)61-40-36(33(54)30(51)23(3)59-40)63-41-37(34(55)32(53)25(18-48)60-41)62-39-35(56)31(52)24(49)19-57-39/h11,16,21-41,48-56H,9-10,12-15,17-20H2,1-8H3

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL1310664

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Apiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Bupleurum rotundifolium 90446 Apiaceae asterids Viridiplantae

Human Protein / Gene in interaction

4 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q9UIF8 Bromodomain adjacent to zinc finger domain protein 2B Unclassified protein CHEMBL1310664 CHEMBL1738312 (1)
0 / 0
P00734 Prothrombin S1A CHEMBL1310664 CHEMBL1614423 (1)
4 / 2
P28482 Mitogen-activated protein kinase 1 Erk CHEMBL1310664 CHEMBL1614521 (1)
0 / 0
Q6W5P4 Neuropeptide S receptor Neuropeptide receptor CHEMBL1310664 CHEMBL1614052 (1)
1 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (5)

OMIM preferred title UniProt
#608584 Asthma-related traits, susceptibility to, 2 Q6W5P4
#614390 Pregnancy loss, recurrent, susceptibility to, 2; rprgl2 P00734
#613679 Prothrombin deficiency, congenital P00734
#601367 Stroke, ischemic P00734
#188050 Thrombophilia due to thrombin defect; thph1 P00734

KEGG DISEASE (2)

KEGG disease name UniProt
H00223 Inherited thrombophilia P00734 (related)
H01254 Congenital prothrombin deficiency P00734 (related)