PCIDB

KNApSAcK Metabolite C00003210

Metabolite

KNApSAcK Entry

id C00003210
Name Ambrosin
CAS RN 509-93-3
Standard InChI InChI=1S/C15H18O3/c1-8-4-5-10-9(2)14(17)18-13(10)15(3)11(8)6-7-12(15)16/h6-8,10-11,13H,2,4-5H2,1,3H3/t8-,10-,11-,13+,15-/m0/s1
Standard InChI (Main Layer) InChI=1S/C15H18O3/c1-8-4-5-10-9(2)14(17)18-13(10)15(3)11(8)6-7-12(15)16/h6-8,10-11,13H,2,4-5H2,1,3H3

Cluster

Phytochemical cluster No. 38
KCF-S cluster No. 495

Link

ChEMBL

By standard InChI CHEMBL115843
By standard InChI Main Layer CHEMBL115843 CHEMBL1730820

KEGG

By LinkDB C09292

CTD

By CAS RN C010675

Human Protein / Gene in interaction

12 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q99700 Ataxin-2 Unclassified protein CHEMBL1730820 CHEMBL2114784 (1)
1 / 1
P84022 Mothers against decapentaplegic homolog 3 Unclassified protein CHEMBL1730820 CHEMBL1794584 (1)
2 / 0
O75496 Geminin Unclassified protein CHEMBL1730820 CHEMBL2114843 (1) CHEMBL2114780 (1)
0 / 0
P38398 Breast cancer type 1 susceptibility protein Enzyme CHEMBL1730820 CHEMBL2114807 (1)
4 / 2
Q9Y253 DNA polymerase eta Enzyme CHEMBL1730820 CHEMBL1794569 (1)
1 / 1
P83916 Chromobox protein homolog 1 Unclassified protein CHEMBL1730820 CHEMBL1794401 (1)
0 / 0
Q9HC16 DNA dC->dU-editing enzyme APOBEC-3G Enzyme CHEMBL1730820 CHEMBL1963863 (1)
0 / 0
Q9UNA4 DNA polymerase iota Enzyme CHEMBL1730820 CHEMBL1794483 (1)
0 / 0
Q16236 Nuclear factor erythroid 2-related factor 2 Unclassified protein CHEMBL1730820 CHEMBL1738184 (1) CHEMBL2114908 (1)
0 / 0
O75874 Isocitrate dehydrogenase [NADP] cytoplasmic Enzyme CHEMBL1730820 CHEMBL2354311 (1)
1 / 0
P01215 Glycoprotein hormones alpha chain Unclassified protein CHEMBL1730820 CHEMBL2114913 (1)
0 / 3
P51531 Probable global transcription activator SNF2L2 Unclassified protein CHEMBL1730820 CHEMBL2354206 (1)
1 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (10)

OMIM preferred title UniProt
#114480 Breast cancer P38398
#604370 Breast-ovarian cancer, familial, susceptibility to, 1; brovca1 P38398
#114500 Colorectal cancer; crc P84022
#137800 Glioma susceptibility 1; glm1 O75874
#613795 Loeys-dietz syndrome, type 3; lds3 P84022
#601358 Nicolaides-baraitser syndrome; ncbrs P51531
#167000 Ovarian cancer P38398
#614320 Pancreatic cancer, susceptibility to, 4; pnca4 P38398
#183090 Spinocerebellar ataxia 2; sca2 Q99700
#278750 Xeroderma pigmentosum, variant type; xpv Q9Y253

KEGG DISEASE (7)

KEGG disease name UniProt
H00081 Hashimoto's thyroiditis P01215 (marker)
H00082 Graves' disease P01215 (marker)
H00250 Congenital nongoitrous hypothyroidism (CHNG) P01215 (marker)
H00027 Ovarian cancer P38398 (related)
H00031 Breast cancer P38398 (related)
H00063 Spinocerebellar ataxia (SCA) Q99700 (related)
H00403 Disorders of nucleotide excision repair Q9Y253 (related)