PCIDB

KNApSAcK Metabolite C00003062

Metabolite

KNApSAcK Entry

id C00003062
Name beta-Thujaplicin
CAS RN 499-44-5
Standard InChI InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)
Standard InChI (Main Layer) InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)

Cluster

Phytochemical cluster No. 35
KCF-S cluster No. 1304

Link

ChEMBL

By standard InChI CHEMBL48310
By standard InChI Main Layer CHEMBL48310

KEGG

By LinkDB C09904

CTD

By CAS RN C009479

Human Protein / Gene in interaction

27 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P04637 Cellular tumor antigen p53 Transcription Factor CHEMBL48310 CHEMBL1613992 (1)
7 / 44
Q16637 Survival motor neuron protein Unclassified protein CHEMBL48310 CHEMBL1613842 (1)
4 / 2
Q9UIF8 Bromodomain adjacent to zinc finger domain protein 2B Unclassified protein CHEMBL48310 CHEMBL1738312 (1)
0 / 0
P09917 Arachidonate 5-lipoxygenase Oxidoreductase CHEMBL48310 CHEMBL1664429 (1)
0 / 0
P22894 Neutrophil collagenase M10A CHEMBL48310 CHEMBL1664434 (1)
0 / 0
P14780 Matrix metalloproteinase-9 M10A CHEMBL48310 CHEMBL1664435 (1)
2 / 2
P11473 Vitamin D3 receptor NR1I1 CHEMBL48310 CHEMBL1794311 (1)
2 / 3
O15296 Arachidonate 15-lipoxygenase B Enzyme CHEMBL48310 CHEMBL1613800 (1)
0 / 0
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL48310 CHEMBL1614458 (1)
0 / 0
P42858 Huntingtin Unclassified protein CHEMBL48310 CHEMBL1613918 (1)
1 / 1
P43220 Glucagon-like peptide 1 receptor Glucagon-like peptide receptor CHEMBL48310 CHEMBL2114788 (1)
0 / 0
P03956 Interstitial collagenase M10A CHEMBL48310 CHEMBL1664431 (1)
0 / 1
P83916 Chromobox protein homolog 1 Unclassified protein CHEMBL48310 CHEMBL1794401 (1)
0 / 0
P18054 Arachidonate 12-lipoxygenase, 12S-type Enzyme CHEMBL48310 CHEMBL1614252 (1)
2 / 0
P08253 72 kDa type IV collagenase M10A CHEMBL48310 CHEMBL1664432 (1)
1 / 3
P15428 15-hydroxyprostaglandin dehydrogenase [NAD(+)] Enzyme CHEMBL48310 CHEMBL1614038 (1)
2 / 2
Q96QE3 ATPase family AAA domain-containing protein 5 Unclassified protein CHEMBL48310 CHEMBL1738588 (1)
0 / 0
P16050 Arachidonate 15-lipoxygenase Enzyme CHEMBL48310 CHEMBL1614240 (1)
0 / 0
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL48310 CHEMBL1614108 (1) CHEMBL1613886 (1)
0 / 1
P10636 Microtubule-associated protein tau Unclassified protein CHEMBL48310 CHEMBL1614421 (3)
4 / 3
Q16236 Nuclear factor erythroid 2-related factor 2 Unclassified protein CHEMBL48310 CHEMBL1738184 (1)
0 / 0
P08254 Stromelysin-1 M10A CHEMBL48310 CHEMBL1664433 (1)
1 / 0
B2RXH2 Lysine-specific demethylase 4E Enzyme CHEMBL48310 CHEMBL1613914 (2)
0 / 0
Q96KQ7 Histone-lysine N-methyltransferase EHMT2 Enzyme CHEMBL48310 CHEMBL1738442 (1)
0 / 0
Q9NUW8 Tyrosyl-DNA phosphodiesterase 1 Enzyme CHEMBL48310 CHEMBL1614364 (1)
1 / 1
Q8IUX4 DNA dC->dU-editing enzyme APOBEC-3F Enzyme CHEMBL48310 CHEMBL1963966 (1)
0 / 0
Q13148 TAR DNA-binding protein 43 Unclassified protein CHEMBL48310 CHEMBL2354287 (1)
1 / 1

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (27)

OMIM preferred title UniProt
#202300 Adrenocortical carcinoma, hereditary; adcc P04637
#612069 Amyotrophic lateral sclerosis 10, with or without frontotemporal dementia; als10 Q13148
#614740 Basal cell carcinoma, susceptibility to, 7; bcc7 P04637
#114500 Colorectal cancer; crc P18054
#614466 Coronary heart disease, susceptibility to, 6; chds6 P08254
#119900 Digital clubbing, isolated congenital P15428
#133239 Esophageal cancer P04637
P18054
#600274 Frontotemporal dementia; ftd P10636
#143100 Huntington disease; hd P42858
#259100 Hypertrophic osteoarthropathy, primary, autosomal recessive, 1; phoar1 P15428
#603932 Intervertebral disc disease; idd P14780
#151623 Li-fraumeni syndrome 1; lfs1 P04637
#211980 Lung cancer P04637
#613073 Metaphyseal anadysplasia 2; mandp2 P14780
#259600 Multicentric osteolysis, nodulosis, and arthropathy; mona P08253
#607948 Mycobacterium tuberculosis, susceptibility to P11473
#260500 Papilloma of choroid plexus; cpp P04637
#260540 Parkinson-dementia syndrome P10636
#172700 Pick disease of brain P10636
#253300 Spinal muscular atrophy, type i; sma1 Q16637
#253550 Spinal muscular atrophy, type ii; sma2 Q16637
#253400 Spinal muscular atrophy, type iii; sma3 Q16637
#271150 Spinal muscular atrophy, type iv; sma4 Q16637
#607250 Spinocerebellar ataxia, autosomal recessive, with axonal neuropathy; scan1 Q9NUW8
#275355 Squamous cell carcinoma, head and neck; hnscc P04637
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636
#277440 Vitamin d-dependent rickets, type 2a; vddr2a P11473

KEGG DISEASE (50)

KEGG disease name UniProt
H00028 Choriocarcinoma P03956 (related)
P04637 (related)
P08253 (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)
P08253 (related)
P14780 (related)
H00026 Endometrial Cancer P04637 (related)
H00027 Ovarian cancer P04637 (related)
H00029 Vulvar cancer P04637 (related)
H00031 Breast cancer P04637 (related)
H00032 Thyroid cancer P04637 (related)
H00033 Adrenal carcinoma P04637 (related)
H00036 Osteosarcoma P04637 (related)
P08684 (marker)
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)
H00472 Torg-Winchester syndrome P08253 (related)
H00058 Amyotrophic lateral sclerosis (ALS) P10636 (related)
Q13148 (related)
H00077 Progressive supranuclear palsy (PSP) P10636 (related)
H00078 Frontotemporal lobar degeneration (FTLD) P10636 (related)
H00342 Tuberculosis P11473 (related)
H00784 Localized autosomal recessive hypotrichosis P11473 (related)
H01143 Vitamin D-dependent rickets P11473 (related)
H00479 Metaphyseal dysplasias P14780 (related)
H00457 Primary hypertrophic osteoarthropathy (PHO) P15428 (related)
H01246 Isolated congenital nail clubbing (ICNC) P15428 (related)
H00059 Huntington's disease (HD) P42858 (related)
H00455 Spinal muscular atrophy (SMA) Q16637 (related)
Q16637 (related)
H00063 Spinocerebellar ataxia (SCA) Q9NUW8 (related)