PCIDB

KNApSAcK Metabolite C00005538

Metabolite

KNApSAcK Entry

id C00005538
Name Isorhamnetin 3-robinobioside / Isorhamnetin 3-O-robinobioside
CAS RN 53584-69-3
Standard InChI InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9?,16?,18-,19-,21-,22?,23?,24?,27+,28-/m0/s1
Standard InChI (Main Layer) InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 1

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL84174 CHEMBL258394 CHEMBL1711509 CHEMBL2165403

KEGG

By LinkDB

CTD

By CAS RN

Human Protein / Gene in interaction

7 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P07237 Protein disulfide-isomerase Enzyme CHEMBL1711509 CHEMBL1964080 (1) CHEMBL2114805 (1)
0 / 0
O75496 Geminin Unclassified protein CHEMBL1711509 CHEMBL2114843 (1)
0 / 0
P43220 Glucagon-like peptide 1 receptor Glucagon-like peptide receptor CHEMBL1711509 CHEMBL2114788 (1)
0 / 0
Q96QE3 ATPase family AAA domain-containing protein 5 Unclassified protein CHEMBL1711509 CHEMBL1738588 (1)
0 / 0
P03372 Estrogen receptor NR3A1 CHEMBL258394 CHEMBL1941568 (1) CHEMBL1941569 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL258394 CHEMBL972070 (1)
0 / 1
Q9UNA4 DNA polymerase iota Enzyme CHEMBL1711509 CHEMBL1794483 (1)
0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (1)

OMIM preferred title UniProt
#615363 Estrogen resistance; estrr P03372

KEGG DISEASE (2)

KEGG disease name UniProt
H00026 Endometrial Cancer P03372 (marker)
H00036 Osteosarcoma P08684 (marker)