PCIDB

KNApSAcK Metabolite C00002975

Metabolite

KNApSAcK Entry

id C00002975
Name Swertianolin
CAS RN 23445-00-3
Standard InChI InChI=1S/C20H20O11/c1-28-7-4-9(23)13-11(5-7)29-19-8(22)2-3-10(14(19)16(13)25)30-20-18(27)17(26)15(24)12(6-21)31-20/h2-5,12,15,17-18,20-24,26-27H,6H2,1H3/t12?,15-,17+,18?,20-/m1/s1
Standard InChI (Main Layer) InChI=1S/C20H20O11/c1-28-7-4-9(23)13-11(5-7)29-19-8(22)2-3-10(14(19)16(13)25)30-20-18(27)17(26)15(24)12(6-21)31-20/h2-5,12,15,17-18,20-24,26-27H,6H2,1H3

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 2

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL468396 CHEMBL1901330

KEGG

By LinkDB C10093

CTD

By CAS RN

Human Protein / Gene in interaction

5 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P27338 Amine oxidase [flavin-containing] B Oxidoreductase CHEMBL468396 CHEMBL974075 (1)
0 / 0
Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Enzyme CHEMBL1901330 CHEMBL1794585 (1)
0 / 0
P21397 Amine oxidase [flavin-containing] A Oxidoreductase CHEMBL468396 CHEMBL974074 (1)
1 / 1
O75496 Geminin Unclassified protein CHEMBL1901330 CHEMBL2114780 (1)
0 / 0
P22303 Acetylcholinesterase Hydrolase CHEMBL468396 CHEMBL974073 (1)
1 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (2)

OMIM preferred title UniProt
#300615 Brunner syndrome P21397
#112100 Yt blood group antigen P22303

KEGG DISEASE (1)

KEGG disease name UniProt
H00548 Brunner syndrome P21397 (related)