PCIDB

KNApSAcK Metabolite C00002822

Metabolite

KNApSAcK Entry

id C00002822
Name Embelin
CAS RN 550-24-3
Standard InChI InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3
Standard InChI (Main Layer) InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3

Cluster

Phytochemical cluster
KCF-S cluster No. 558

Link

ChEMBL

By standard InChI CHEMBL221137
By standard InChI Main Layer CHEMBL221137

KEGG

By LinkDB C10342

CTD

By CAS RN C010945

Human Protein / Gene in interaction

29 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL221137 CHEMBL1614110 (2) CHEMBL1741321 (1)
1 / 0
P18031 Tyrosine-protein phosphatase non-receptor type 1 Tyr CHEMBL221137 CHEMBL980220 (1)
0 / 0
P04637 Cellular tumor antigen p53 Transcription Factor CHEMBL221137 CHEMBL1613992 (1) CHEMBL1613995 (1)
7 / 44
O75604 Ubiquitin carboxyl-terminal hydrolase 2 Enzyme CHEMBL221137 CHEMBL1614331 (1)
0 / 0
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL221137 CHEMBL1614027 (1) CHEMBL1741325 (1)
0 / 1
P11473 Vitamin D3 receptor NR1I1 CHEMBL221137 CHEMBL1794311 (1)
2 / 3
P14416 D(2) dopamine receptor Dopamine receptor CHEMBL221137 CHEMBL2114743 (1)
2 / 0
O15296 Arachidonate 15-lipoxygenase B Enzyme CHEMBL221137 CHEMBL1613800 (1)
0 / 0
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL221137 CHEMBL1614458 (3)
0 / 0
P83916 Chromobox protein homolog 1 Unclassified protein CHEMBL221137 CHEMBL1794401 (1)
0 / 0
P00734 Prothrombin S1A CHEMBL221137 CHEMBL976587 (1)
4 / 2
P18054 Arachidonate 12-lipoxygenase, 12S-type Enzyme CHEMBL221137 CHEMBL1614252 (1)
2 / 0
P28482 Mitogen-activated protein kinase 1 Erk CHEMBL221137 CHEMBL1614521 (1)
0 / 0
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 CHEMBL221137 CHEMBL1741322 (1)
0 / 0
Q99714 3-hydroxyacyl-CoA dehydrogenase type-2 Enzyme CHEMBL221137 CHEMBL1613910 (1) CHEMBL1614227 (1)
3 / 3
P15428 15-hydroxyprostaglandin dehydrogenase [NAD(+)] Enzyme CHEMBL221137 CHEMBL1614038 (2)
2 / 2
P16050 Arachidonate 15-lipoxygenase Enzyme CHEMBL221137 CHEMBL1614240 (1)
0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL221137 CHEMBL1613777 (1) CHEMBL1741323 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL221137 CHEMBL1741324 (1)
0 / 1
P98170 E3 ubiquitin-protein ligase XIAP Other cytosolic protein CHEMBL221137 CHEMBL650031 (1) CHEMBL650033 (1)
CHEMBL911915 (1)
1 / 1
Q9UNA4 DNA polymerase iota Enzyme CHEMBL221137 CHEMBL1794483 (1)
0 / 0
O75164 Lysine-specific demethylase 4A Enzyme CHEMBL221137 CHEMBL1737991 (1)
0 / 0
P27695 DNA-(apurinic or apyrimidinic site) lyase Enzyme CHEMBL221137 CHEMBL1614211 (1)
0 / 0
P10636 Microtubule-associated protein tau Unclassified protein CHEMBL221137 CHEMBL1614250 (3) CHEMBL1614421 (3)
CHEMBL1614502 (3)
4 / 3
Q9UBT6 DNA polymerase kappa Enzyme CHEMBL221137 CHEMBL1794536 (2)
0 / 0
B2RXH2 Lysine-specific demethylase 4E Enzyme CHEMBL221137 CHEMBL1613914 (2)
0 / 0
Q9NUW8 Tyrosyl-DNA phosphodiesterase 1 Enzyme CHEMBL221137 CHEMBL1614364 (1)
1 / 1
O00255 Menin Unclassified protein CHEMBL221137 CHEMBL1614257 (3) CHEMBL1614531 (2)
2 / 5
Q03164 Histone-lysine N-methyltransferase 2A Enzyme CHEMBL221137 CHEMBL1614257 (3) CHEMBL1614531 (2)
1 / 3

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (32)

OMIM preferred title UniProt
#300438 17-beta-hydroxysteroid dehydrogenase x deficiency Q99714
#202300 Adrenocortical carcinoma, hereditary; adcc P04637
#103780 Alcohol dependence P14416
#614740 Basal cell carcinoma, susceptibility to, 7; bcc7 P04637
#114500 Colorectal cancer; crc P18054
#119900 Digital clubbing, isolated congenital P15428
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635
#133239 Esophageal cancer P04637
P18054
#600274 Frontotemporal dementia; ftd P10636
#605130 Hairy elbows, short stature, facial dysmorphism, and developmental delay Q03164
#145000 Hyperparathyroidism 1; hrpt1 O00255
#259100 Hypertrophic osteoarthropathy, primary, autosomal recessive, 1; phoar1 P15428
#151623 Li-fraumeni syndrome 1; lfs1 P04637
#211980 Lung cancer P04637
#300635 Lymphoproliferative syndrome, x-linked, 2; xlp2 P98170
#300705 Mental retardation, x-linked 17; mrx17 Q99714
#300220 Mental retardation, x-linked, syndromic 10; mrxs10 Q99714
#131100 Multiple endocrine neoplasia, type i; men1 O00255
#607948 Mycobacterium tuberculosis, susceptibility to P11473
#159900 Myoclonic dystonia P14416
#260500 Papilloma of choroid plexus; cpp P04637
#260540 Parkinson-dementia syndrome P10636
#172700 Pick disease of brain P10636
#614390 Pregnancy loss, recurrent, susceptibility to, 2; rprgl2 P00734
#613679 Prothrombin deficiency, congenital P00734
#607250 Spinocerebellar ataxia, autosomal recessive, with axonal neuropathy; scan1 Q9NUW8
#275355 Squamous cell carcinoma, head and neck; hnscc P04637
#601367 Stroke, ischemic P00734
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636
#188050 Thrombophilia due to thrombin defect; thph1 P00734
#277440 Vitamin d-dependent rickets, type 2a; vddr2a P11473

KEGG DISEASE (60)

KEGG disease name UniProt
H00033 Adrenal carcinoma O00255 (related)
P04637 (related)
H00034 Carcinoid O00255 (related)
H00045 Malignant islet cell carcinoma O00255 (related)
H00246 Primary hyperparathyroidism O00255 (related)
H01102 Pituitary adenomas O00255 (related)
H00223 Inherited thrombophilia P00734 (related)
H01254 Congenital prothrombin deficiency P00734 (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)
H00028 Choriocarcinoma P04637 (related)
H00029 Vulvar cancer P04637 (related)
H00031 Breast cancer P04637 (related)
H00032 Thyroid cancer 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)
H00058 Amyotrophic lateral sclerosis (ALS) P10636 (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)
H01205 Coumarin resistance P11712 (related)
H00457 Primary hypertrophic osteoarthropathy (PHO) P15428 (related)
H01246 Isolated congenital nail clubbing (ICNC) P15428 (related)
H01171 Poor drug metabolism (PM) P33261 (related)
H00107 Other well-defined immunodeficiency syndromes P98170 (related)
H00001 Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) Q03164 (related)
Q03164 (marker)
H00002 Acute lymphoblastic leukemia (ALL) (precursor T lymphoblastic leukemia) Q03164 (related)
H00480 Non-syndromic X-linked mental retardation Q99714 (related)
H00658 Syndromic X-linked mental retardation Q99714 (related)
H00925 2-Methyl-3-hydroxybutyryl-CoA dehydrogenase (MHBD) deficiency Q99714 (related)
H00063 Spinocerebellar ataxia (SCA) Q9NUW8 (related)