PCIDB

KNApSAcK Metabolite C00003696

Metabolite

KNApSAcK Entry

id C00003696
Name Ailanthinone
CAS RN 53683-73-1
Standard InChI InChI=1S/C25H34O9/c1-6-10(2)20(29)34-17-16-12(4)18(27)25(31)22-23(5)13(11(3)7-14(26)19(23)28)8-15(33-21(17)30)24(16,22)9-32-25/h7,10,12-13,15-19,22,27-28,31H,6,8-9H2,1-5H3/t10?,12-,13+,15-,16-,17-,18-,19-,22-,23-,24+,25+/m1/s1
Standard InChI (Main Layer) InChI=1S/C25H34O9/c1-6-10(2)20(29)34-17-16-12(4)18(27)25(31)22-23(5)13(11(3)7-14(26)19(23)28)8-15(33-21(17)30)24(16,22)9-32-25/h7,10,12-13,15-19,22,27-28,31H,6,8-9H2,1-5H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 704

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL487194 CHEMBL1980182

KEGG

By LinkDB C08746

CTD

By CAS RN

Human Protein / Gene in interaction

3 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P40763 Signal transducer and activator of transcription 3 Transcription Factor CHEMBL487194 CHEMBL1062171 (1) CHEMBL1062172 (1)
CHEMBL1062173 (1) CHEMBL1062174 (1)
CHEMBL1062175 (1) CHEMBL1063013 (1)
1 / 2
O15111 Inhibitor of nuclear factor kappa-B kinase subunit alpha Other serine/threonine protein kinase CHEMBL487194 CHEMBL1062169 (1) CHEMBL1062170 (1)
1 / 1
P05412 Transcription factor AP-1 Transcription Factor CHEMBL487194 CHEMBL1061338 (1)
0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (2)

OMIM preferred title UniProt
#613630 Cocoon syndrome O15111
#147060 Hyper-ige recurrent infection syndrome, autosomal dominant P40763

KEGG DISEASE (3)

KEGG disease name UniProt
H00882 Cocoon syndrome O15111 (related)
H00016 Oral cancer P40763 (related)
H00107 Other well-defined immunodeficiency syndromes P40763 (related)