PCIDB

KNApSAcK Metabolite C00003667

Metabolite

KNApSAcK Entry

id C00003667
Name Ponasterone A
CAS RN 13408-56-5
Standard InChI InChI=1S/C27H44O6/c1-15(2)6-7-23(31)26(5,32)22-9-11-27(33)17-12-19(28)18-13-20(29)21(30)14-24(18,3)16(17)8-10-25(22,27)4/h12,15-16,18,20-23,29-33H,6-11,13-14H2,1-5H3/t16-,18-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1
Standard InChI (Main Layer) InChI=1S/C27H44O6/c1-15(2)6-7-23(31)26(5,32)22-9-11-27(33)17-12-19(28)18-13-20(29)21(30)14-24(18,3)16(17)8-10-25(22,27)4/h12,15-16,18,20-23,29-33H,6-11,13-14H2,1-5H3

Cluster

Phytochemical cluster No. 11
KCF-S cluster No. 58

Link

ChEMBL

By standard InChI CHEMBL549789
By standard InChI Main Layer CHEMBL549789 CHEMBL1881624

KEGG

By LinkDB C08835

CTD

By CAS RN C008999

Human Protein / Gene in interaction

3 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P08183 Multidrug resistance protein 1 drug CHEMBL549789 CHEMBL2091088 (1) CHEMBL2091093 (1)
CHEMBL2091096 (1) CHEMBL2091099 (1)
1 / 0
P83916 Chromobox protein homolog 1 Unclassified protein CHEMBL1881624 CHEMBL1794401 (1)
0 / 0
O75874 Isocitrate dehydrogenase [NADP] cytoplasmic Enzyme CHEMBL1881624 CHEMBL2354311 (1)
1 / 0

CTD interaction (2)

compound gene gene name gene description interaction interaction type form reference
pmid
C008999 2272 FHIT
AP3Aase
FRA3B
fragile histidine triad (EC:3.6.1.29) ponasterone A affects the expression of FHIT protein affects expression
protein 17019711
C008999 54659 UGT1A3
UDPGT
UDPGT_1-3
UGT-1C
UGT1-03
UGT1.3
UGT1C
UDP glucuronosyltransferase 1 family, polypeptide A3 (EC:2.4.1.17) ponasterone A results in increased expression of UGT1A3 protein increases expression
protein 17058234

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (2)

OMIM preferred title UniProt
#137800 Glioma susceptibility 1; glm1 O75874
#612244 Inflammatory bowel disease 13; ibd13 P08183