PCIDB

KNApSAcK Metabolite C00003098

Metabolite

KNApSAcK Entry

id C00003098
Name Secologanin
CAS RN 19351-63-4
Standard InChI InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11?,12-,13+,14?,16+,17+/m1/s1
Standard InChI (Main Layer) InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3

Cluster

Phytochemical cluster No. 36
KCF-S cluster No. 806

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL1235867 CHEMBL1971881

KEGG

By LinkDB C01852

CTD

By CAS RN C021086

Human Protein / Gene in interaction

1 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P07900 Heat shock protein HSP 90-alpha Other cytosolic protein CHEMBL1235867 CHEMBL2338980 (1)
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