PCIDB

KNApSAcK Metabolite C00002485

Metabolite

KNApSAcK Entry

id C00002485
Name Nodakenetin
CAS RN 495-32-9
Standard InChI InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3/t12-/m1/s1
Standard InChI (Main Layer) InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3

Cluster

Phytochemical cluster No. 25
KCF-S cluster No. 1336

Link

ChEMBL

By standard InChI CHEMBL1464240
By standard InChI Main Layer CHEMBL442813 CHEMBL1464240

KEGG

By LinkDB C09278

CTD

By CAS RN

Human Protein / Gene in interaction

12 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P04637 Cellular tumor antigen p53 Transcription Factor CHEMBL1464240 CHEMBL1738132 (1)
7 / 44
P04062 Glucosylceramidase Enzyme CHEMBL1464240 CHEMBL1613818 (1)
6 / 4
Q9NR56 Muscleblind-like protein 1 Unclassified protein CHEMBL1464240 CHEMBL1614166 (1)
1 / 0
P17405 Sphingomyelin phosphodiesterase Enzyme CHEMBL1464240 CHEMBL1794495 (1)
2 / 2
P38398 Breast cancer type 1 susceptibility protein Enzyme CHEMBL1464240 CHEMBL2114807 (1)
4 / 2
P11511 Cytochrome P450 19A1 Cytochrome P450 19A1 CHEMBL442813 CHEMBL949646 (1)
2 / 2
P56817 Beta-secretase 1 A1A CHEMBL442813 CHEMBL1936881 (1) CHEMBL1936882 (1)
0 / 0
O15118 Niemann-Pick C1 protein Unclassified protein CHEMBL1464240 CHEMBL1614342 (1)
1 / 1
Q96QE3 ATPase family AAA domain-containing protein 5 Unclassified protein CHEMBL1464240 CHEMBL1738588 (1) CHEMBL1738317 (1)
0 / 0
P22303 Acetylcholinesterase Hydrolase CHEMBL442813 CHEMBL1003053 (1)
1 / 0
Q9UNA4 DNA polymerase iota Enzyme CHEMBL1464240 CHEMBL1794483 (1)
0 / 0
P01215 Glycoprotein hormones alpha chain Unclassified protein CHEMBL1464240 CHEMBL2114913 (1)
0 / 3

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (24)

OMIM preferred title UniProt
#202300 Adrenocortical carcinoma, hereditary; adcc P04637
#613546 Aromatase deficiency P11511
#139300 Aromatase excess syndrome; aexs P11511
#614740 Basal cell carcinoma, susceptibility to, 7; bcc7 P04637
#114480 Breast cancer P38398
#604370 Breast-ovarian cancer, familial, susceptibility to, 1; brovca1 P38398
#133239 Esophageal cancer P04637
#608013 Gaucher disease, perinatal lethal P04062
#230800 Gaucher disease, type i P04062
#230900 Gaucher disease, type ii P04062
#231000 Gaucher disease, type iii P04062
#231005 Gaucher disease, type iiic P04062
#151623 Li-fraumeni syndrome 1; lfs1 P04637
#211980 Lung cancer P04637
#160900 Myotonic dystrophy 1; dm1 Q9NR56
#257200 Niemann-pick disease, type a P17405
#607616 Niemann-pick disease, type b P17405
#257220 Niemann-pick disease, type c1; npc1 O15118
#167000 Ovarian cancer P38398
#614320 Pancreatic cancer, susceptibility to, 4; pnca4 P38398
#260500 Papilloma of choroid plexus; cpp P04637
#168600 Parkinson disease, late-onset; pd P04062
#275355 Squamous cell carcinoma, head and neck; hnscc P04637
#112100 Yt blood group antigen P22303

KEGG DISEASE (49)

KEGG disease name UniProt
H00136 Niemann-Pick disease type C (NPC) O15118 (related)
H00081 Hashimoto's thyroiditis P01215 (marker)
H00082 Graves' disease P01215 (marker)
H00250 Congenital nongoitrous hypothyroidism (CHNG) P01215 (marker)
H00066 Lewy body dementia (LBD) P04062 (related)
H00126 Gaucher disease P04062 (related)
H00426 Defects in the degradation of ganglioside P04062 (related)
H00810 Progressive myoclonic epilepsy (PME) P04062 (related)
H00004 Chronic myeloid leukemia (CML) P04637 (related)
H00005 Chronic lymphocytic leukemia (CLL) P04637 (related)
H00006 Hairy-cell leukemia P04637 (related)
H00008 Burkitt lymphoma P04637 (related)
H00009 Adult T-cell leukemia P04637 (related)
H00010 Multiple myeloma P04637 (related)
H00013 Small cell lung cancer P04637 (related)
H00014 Non-small cell lung cancer P04637 (related)
H00015 Malignant pleural mesothelioma P04637 (related)
H00016 Oral cancer P04637 (related)
P04637 (marker)
H00017 Esophageal cancer P04637 (related)
P04637 (marker)
H00018 Gastric cancer P04637 (related)
H00019 Pancreatic cancer P04637 (related)
P04637 (marker)
H00020 Colorectal cancer P04637 (related)
P04637 (marker)
H00022 Bladder cancer P04637 (related)
H00025 Penile cancer P04637 (related)
P04637 (marker)
H00026 Endometrial Cancer P04637 (related)
H00027 Ovarian cancer P04637 (related)
P38398 (related)
H00028 Choriocarcinoma P04637 (related)
H00029 Vulvar cancer P04637 (related)
H00031 Breast cancer P04637 (related)
P38398 (related)
H00032 Thyroid cancer P04637 (related)
H00033 Adrenal carcinoma P04637 (related)
H00036 Osteosarcoma P04637 (related)
H00038 Malignant melanoma P04637 (related)
H00039 Basal cell carcinoma P04637 (related)
H00040 Squamous cell carcinoma P04637 (related)
H00041 Kaposi's sarcoma P04637 (related)
H00042 Glioma P04637 (related)
P04637 (marker)
H00044 Cancer of the anal canal P04637 (related)
H00046 Cholangiocarcinoma P04637 (related)
H00047 Gallbladder cancer P04637 (related)
H00048 Hepatocellular carcinoma P04637 (related)
H00055 Laryngeal cancer P04637 (related)
P04637 (marker)
H00881 Li-Fraumeni syndrome P04637 (related)
H01007 Choroid plexus papilloma P04637 (related)
H00021 Renal cell carcinoma P04637 (marker)
H00599 46,XX disorders of sex development (Disorders related to androgen excess) P11511 (related)
H00794 Aromatase excess syndrome P11511 (related)
H00137 Niemann-Pick disease (NPD) typeA and B P17405 (related)
H00424 Defects in the degradation of sphingomyelin P17405 (related)