PCIDB

KNApSAcK Metabolite C00003711

Metabolite

KNApSAcK Entry

id C00003711
Name Glaucarubinone
CAS RN 1259-86-5
Standard InChI InChI=1S/C25H34O10/c1-6-22(4,31)21(30)35-16-15-11(3)17(27)25(32)20-23(5)12(10(2)7-13(26)18(23)28)8-14(34-19(16)29)24(15,20)9-33-25/h7,11-12,14-18,20,27-28,31-32H,6,8-9H2,1-5H3/t11-,12+,14-,15-,16-,17-,18-,20-,22+,23-,24+,25+/m1/s1
Standard InChI (Main Layer) InChI=1S/C25H34O10/c1-6-22(4,31)21(30)35-16-15-11(3)17(27)25(32)20-23(5)12(10(2)7-13(26)18(23)28)8-14(34-19(16)29)24(15,20)9-33-25/h7,11-12,14-18,20,27-28,31-32H,6,8-9H2,1-5H3

Cluster

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

Link

ChEMBL

By standard InChI CHEMBL458347
By standard InChI Main Layer CHEMBL458347 CHEMBL1728992

KEGG

By LinkDB C08763

CTD

By CAS RN C015235

Human Protein / Gene in interaction

10 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q99700 Ataxin-2 Unclassified protein CHEMBL1728992 CHEMBL2114784 (1)
1 / 1
P84022 Mothers against decapentaplegic homolog 3 Unclassified protein CHEMBL1728992 CHEMBL1794584 (1)
2 / 0
O75496 Geminin Unclassified protein CHEMBL1728992 CHEMBL2114843 (1) CHEMBL2114780 (1)
0 / 0
P40763 Signal transducer and activator of transcription 3 Transcription Factor CHEMBL458347 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 CHEMBL458347 CHEMBL1061346 (1) CHEMBL1061347 (1)
1 / 1
Q16236 Nuclear factor erythroid 2-related factor 2 Unclassified protein CHEMBL1728992 CHEMBL1738184 (1)
0 / 0
P05412 Transcription factor AP-1 Transcription Factor CHEMBL458347 CHEMBL1061338 (1) CHEMBL1811510 (2)
0 / 0
O75874 Isocitrate dehydrogenase [NADP] cytoplasmic Enzyme CHEMBL1728992 CHEMBL2354311 (1)
1 / 0
P01215 Glycoprotein hormones alpha chain Unclassified protein CHEMBL1728992 CHEMBL2114913 (1)
0 / 3
Q06710 Paired box protein Pax-8 Unclassified protein CHEMBL1728992 CHEMBL2354215 (1) CHEMBL2354247 (1)
CHEMBL2354301 (1)
1 / 2

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (7)

OMIM preferred title UniProt
#613630 Cocoon syndrome O15111
#114500 Colorectal cancer; crc P84022
#137800 Glioma susceptibility 1; glm1 O75874
#147060 Hyper-ige recurrent infection syndrome, autosomal dominant P40763
#218700 Hypothyroidism, congenital, nongoitrous, 2; chng2 Q06710
#613795 Loeys-dietz syndrome, type 3; lds3 P84022
#183090 Spinocerebellar ataxia 2; sca2 Q99700

KEGG DISEASE (8)

KEGG disease name UniProt
H00882 Cocoon syndrome O15111 (related)
H00081 Hashimoto's thyroiditis P01215 (marker)
H00082 Graves' disease P01215 (marker)
H00250 Congenital nongoitrous hypothyroidism (CHNG) P01215 (marker)
Q06710 (related)
H00016 Oral cancer P40763 (related)
H00107 Other well-defined immunodeficiency syndromes P40763 (related)
H00032 Thyroid cancer Q06710 (related)
H00063 Spinocerebellar ataxia (SCA) Q99700 (related)