PCIDB

KNApSAcK Metabolite C00010570

Metabolite

KNApSAcK Entry

id C00010570
Name 8-Acetylharpagide / Harpagide 7-acetate / 8-O-Acetylharpagide
CAS RN 6926-14-3
Standard InChI InChI=1S/C17H26O11/c1-7(19)28-16(2)5-9(20)17(24)3-4-25-15(13(16)17)27-14-12(23)11(22)10(21)8(6-18)26-14/h3-4,8-15,18,20-24H,5-6H2,1-2H3/t8?,9-,10-,11+,12?,13-,14?,15+,16+,17-/m1/s1
Standard InChI (Main Layer) InChI=1S/C17H26O11/c1-7(19)28-16(2)5-9(20)17(24)3-4-25-15(13(16)17)27-14-12(23)11(22)10(21)8(6-18)26-14/h3-4,8-15,18,20-24H,5-6H2,1-2H3

Cluster

Phytochemical cluster No. 36
KCF-S cluster No. 56

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL523290 CHEMBL595293

KEGG

By LinkDB

CTD

By CAS RN C077626

Human Protein / Gene in interaction

1 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P84022 Mothers against decapentaplegic homolog 3 Unclassified protein CHEMBL523290 CHEMBL1794584 (1)
2 / 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