PCIDB

KNApSAcK Metabolite C00002615

Metabolite

KNApSAcK Entry

id C00002615
Name alpha-Peltatin
CAS RN 568-53-6
Standard InChI InChI=1S/C21H20O8/c1-25-13-4-9(5-14(26-2)19(13)23)16-11-6-15-20(29-8-28-15)18(22)12(11)3-10-7-27-21(24)17(10)16/h4-6,10,16-17,22-23H,3,7-8H2,1-2H3/t10-,16+,17-/m0/s1
Standard InChI (Main Layer) InChI=1S/C21H20O8/c1-25-13-4-9(5-14(26-2)19(13)23)16-11-6-15-20(29-8-28-15)18(22)12(11)3-10-7-27-21(24)17(10)16/h4-6,10,16-17,22-23H,3,7-8H2,1-2H3

Cluster

Phytochemical cluster No. 21
KCF-S cluster No. 427

Link

ChEMBL

By standard InChI CHEMBL95972
By standard InChI Main Layer CHEMBL95972 CHEMBL368930 CHEMBL1591274

KEGG

By LinkDB C10729

CTD

By CAS RN C049798

Human Protein / Gene in interaction

6 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P39748 Flap endonuclease 1 Enzyme CHEMBL1591274 CHEMBL1794486 (1)
0 / 0
P84022 Mothers against decapentaplegic homolog 3 Unclassified protein CHEMBL1591274 CHEMBL1794584 (1)
2 / 0
Q9UNA4 DNA polymerase iota Enzyme CHEMBL1591274 CHEMBL1794483 (1)
0 / 0
Q16236 Nuclear factor erythroid 2-related factor 2 Unclassified protein CHEMBL1591274 CHEMBL1738184 (1)
0 / 0
P11388 DNA topoisomerase 2-alpha Isomerase CHEMBL95972 CHEMBL669727 (1) CHEMBL669736 (1)
0 / 0
Q02880 DNA topoisomerase 2-beta Isomerase CHEMBL95972 CHEMBL669727 (1) CHEMBL669736 (1)
0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (2)

OMIM preferred title UniProt
#114500 Colorectal cancer; crc P84022
#613795 Loeys-dietz syndrome, type 3; lds3 P84022