PCIDB

KNApSAcK Metabolite C00039452

Metabolite

KNApSAcK Entry

id C00039452
Name Isoscopoletin
CAS RN 776-86-3
Standard InChI InChI=1S/C10H8O4/c1-13-9-5-8-6(4-7(9)11)2-3-10(12)14-8/h2-5,11H,1H3
Standard InChI (Main Layer) InChI=1S/C10H8O4/c1-13-9-5-8-6(4-7(9)11)2-3-10(12)14-8/h2-5,11H,1H3

Cluster

Phytochemical cluster No. 25
KCF-S cluster No. 864

Link

ChEMBL

By standard InChI CHEMBL390320
By standard InChI Main Layer CHEMBL390320

KEGG

By LinkDB C18079

CTD

By CAS RN

Human Protein / Gene in interaction

12 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P09917 Arachidonate 5-lipoxygenase Oxidoreductase CHEMBL390320 CHEMBL916998 (1)
0 / 0
P35354 Prostaglandin G/H synthase 2 Oxidoreductase CHEMBL390320 CHEMBL917000 (1)
0 / 3
P43166 Carbonic anhydrase 7 Lyase CHEMBL390320 CHEMBL2341285 (1)
0 / 0
Q8N1Q1 Carbonic anhydrase 13 Lyase CHEMBL390320 CHEMBL2341282 (1)
0 / 0
P47989 Xanthine dehydrogenase/oxidase Oxidoreductase CHEMBL390320 CHEMBL892636 (1)
1 / 1
P00918 Carbonic anhydrase 2 Lyase CHEMBL390320 CHEMBL2341286 (1)
1 / 2
O43570 Carbonic anhydrase 12 Lyase CHEMBL390320 CHEMBL2341283 (1)
1 / 2
P15121 Aldose reductase Enzyme CHEMBL390320 CHEMBL1260797 (1)
0 / 0
P00915 Carbonic anhydrase 1 Lyase CHEMBL390320 CHEMBL2341287 (1)
0 / 0
Q16790 Carbonic anhydrase 9 Lyase CHEMBL390320 CHEMBL2341284 (1)
0 / 1
Q00796 Sorbitol dehydrogenase Enzyme CHEMBL390320 CHEMBL1260799 (1)
0 / 0
Q9UBT6 DNA polymerase kappa Enzyme CHEMBL390320 CHEMBL1794536 (1)
0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (3)

OMIM preferred title UniProt
#143860 Hyperchlorhidrosis, isolated O43570
#259730 Osteopetrosis, autosomal recessive 3; optb3 P00918
#278300 Xanthinuria, type i P47989

KEGG DISEASE (8)

KEGG disease name UniProt
H01302 Hyperchlorhidrosis isolated (HCHLH) O43570 (related)
H00021 Renal cell carcinoma O43570 (marker)
Q16790 (marker)
H00241 Combined proximal and distal renal tubular acidosis (RTA type 3) P00918 (related)
H00436 Osteopetrosis P00918 (related)
H00017 Esophageal cancer P35354 (related)
H00025 Penile cancer P35354 (related)
H00046 Cholangiocarcinoma P35354 (related)
H00192 Xanthinuria P47989 (related)