PCIDB

KNApSAcK Metabolite C00003068

Metabolite

KNApSAcK Entry

id C00003068
Name Agnuside / Buddlejoside A
CAS RN 11027-63-7
Standard InChI InChI=1S/C22H26O11/c23-8-15-17(26)18(27)19(28)22(32-15)33-21-16-11(7-14(25)13(16)5-6-30-21)9-31-20(29)10-1-3-12(24)4-2-10/h1-7,13-19,21-28H,8-9H2/t13-,14+,15?,16+,17+,18-,19?,21-,22-/m0/s1
Standard InChI (Main Layer) InChI=1S/C22H26O11/c23-8-15-17(26)18(27)19(28)22(32-15)33-21-16-11(7-14(25)13(16)5-6-30-21)9-31-20(29)10-1-3-12(24)4-2-10/h1-7,13-19,21-28H,8-9H2

Cluster

Phytochemical cluster No. 36
KCF-S cluster No. 1380

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL391454 CHEMBL483223

KEGG

By LinkDB C09765

CTD

By CAS RN

Human Protein / Gene in interaction

1 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P09917 Arachidonate 5-lipoxygenase Oxidoreductase CHEMBL483223 CHEMBL1002859 (1)
0 / 0