PCIDB

KNApSAcK Metabolite C00008882

Metabolite

KNApSAcK Entry

id C00008882
Name Gallocatechin 3-O-gallate
CAS RN 5127-64-0
Standard InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m0/s1
Standard InChI (Main Layer) InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2

Cluster

Phytochemical cluster No. 14
KCF-S cluster No. 219

Link

ChEMBL

By standard InChI CHEMBL126079
By standard InChI Main Layer CHEMBL297453 CHEMBL311663 CHEMBL126079 CHEMBL338988 CHEMBL264938

KEGG

By LinkDB

CTD

By CAS RN

Human Protein / Gene in interaction

49 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q9UIF8 Bromodomain adjacent to zinc finger domain protein 2B Unclassified protein CHEMBL297453 CHEMBL1738312 (1)
0 / 0
O95342 Bile salt export pump drug CHEMBL297453 CHEMBL2076226 (1) CHEMBL2076242 (1)
2 / 1
P14618 Pyruvate kinase PKM Enzyme CHEMBL297453 CHEMBL1613996 (1) CHEMBL1614428 (1)
0 / 0
P35354 Prostaglandin G/H synthase 2 Oxidoreductase CHEMBL297453 CHEMBL1008507 (1)
0 / 3
Q12809 Potassium voltage-gated channel subfamily H member 2 KCNH, Kv10-12.x (Ether-a-go-go) CHEMBL311663 CHEMBL1676103 (1)
2 / 2
P08246 Neutrophil elastase S1A CHEMBL297453 CHEMBL1071298 (1) CHEMBL1071299 (1)
CHEMBL1071300 (1) CHEMBL1071301 (1)
CHEMBL1071302 (1) CHEMBL1071303 (1)
2 / 1
Q16539 Mitogen-activated protein kinase 14 p38 CHEMBL297453 CHEMBL1664298 (1)
0 / 0
P06746 DNA polymerase beta Enzyme CHEMBL297453 CHEMBL1614079 (1)
0 / 0
P10253 Lysosomal alpha-glucosidase Hydrolase CHEMBL297453 CHEMBL1614076 (1)
1 / 1
P52209 6-phosphogluconate dehydrogenase, decarboxylating Enzyme CHEMBL297453 CHEMBL264938 CHEMBL921930 (2)
0 / 0
O75604 Ubiquitin carboxyl-terminal hydrolase 2 Enzyme CHEMBL311663 CHEMBL1614331 (1)
0 / 0
P10828 Thyroid hormone receptor beta NR1A2 CHEMBL297453 CHEMBL1794399 (1)
3 / 1
P02768 Serum albumin Secreted protein CHEMBL297453 CHEMBL1177441 (1) CHEMBL2340743 (1)
CHEMBL2340744 (1)
0 / 0
P49327 Fatty acid synthase Transferase CHEMBL297453 CHEMBL1260142 (1)
0 / 0
P54132 Bloom syndrome protein Enzyme CHEMBL311663 CHEMBL1614067 (1)
1 / 2
P51570 Galactokinase Enzyme CHEMBL311663 CHEMBL1613821 (1)
1 / 1
P11473 Vitamin D3 receptor NR1I1 CHEMBL311663 CHEMBL1794311 (1)
2 / 3
P23219 Prostaglandin G/H synthase 1 Oxidoreductase CHEMBL297453 CHEMBL1008508 (1)
0 / 0
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL311663 CHEMBL1614458 (1)
0 / 0
P50281 Matrix metalloproteinase-14 M10A CHEMBL297453 CHEMBL1064084 (1)
0 / 0
Q92830 Histone acetyltransferase KAT2A Enzyme CHEMBL311663 CHEMBL1738606 (1)
0 / 0
O94782 Ubiquitin carboxyl-terminal hydrolase 1 Enzyme CHEMBL311663 CHEMBL1794467 (1)
0 / 0
P37231 Peroxisome proliferator-activated receptor gamma NR1C3 CHEMBL297453 CHEMBL1794510 (1)
5 / 3
P04626 Receptor tyrosine-protein kinase erbB-2 TK tyrosine-protein kinase EGFR subfamily CHEMBL297453 CHEMBL2090538 (1)
5 / 10
P08581 Hepatocyte growth factor receptor TK tyrosine-protein kinase MET subfamily CHEMBL297453 CHEMBL264938 CHEMBL1056838 (2) CHEMBL1056839 (2)
CHEMBL1056840 (1)
2 / 3
P28482 Mitogen-activated protein kinase 1 Erk CHEMBL311663 CHEMBL1613808 (1)
0 / 0
P56817 Beta-secretase 1 A1A CHEMBL297453 CHEMBL126079 CHEMBL338988 CHEMBL653507 (2) CHEMBL653508 (2)
CHEMBL1954848 (1) CHEMBL1954849 (1)
CHEMBL1954850 (1) CHEMBL1954851 (1)
CHEMBL1954852 (1) CHEMBL1954997 (1)
CHEMBL1955004 (1) CHEMBL1955005 (1)
CHEMBL1955006 (1) CHEMBL1955007 (1)
CHEMBL1955014 (1) CHEMBL1955015 (1)
CHEMBL1955016 (1) CHEMBL1955017 (1)
CHEMBL1955020 (1) CHEMBL1955021 (1)
CHEMBL1955023 (1) CHEMBL1955024 (1)
CHEMBL1953025 (1) CHEMBL1953026 (1)
CHEMBL1953027 (1) CHEMBL1953030 (1)
CHEMBL1953031 (1)
0 / 0
P09237 Matrilysin M10A CHEMBL297453 CHEMBL1064085 (1)
0 / 0
P08253 72 kDa type IV collagenase M10A CHEMBL297453 CHEMBL1064086 (1)
1 / 3
Q99714 3-hydroxyacyl-CoA dehydrogenase type-2 Enzyme CHEMBL311663 CHEMBL1613910 (1)
3 / 3
P15428 15-hydroxyprostaglandin dehydrogenase [NAD(+)] Enzyme CHEMBL311663 CHEMBL1614038 (1)
2 / 2
P00374 Dihydrofolate reductase Oxidoreductase CHEMBL297453 CHEMBL930269 (1)
1 / 1
P26358 DNA (cytosine-5)-methyltransferase 1 Transferase CHEMBL297453 CHEMBL2066853 (1)
2 / 0
P19838 Nuclear factor NF-kappa-B p105 subunit Transcription Factor CHEMBL297453 CHEMBL2114853 (1)
0 / 0
P16050 Arachidonate 15-lipoxygenase Enzyme CHEMBL311663 CHEMBL1614240 (1)
0 / 0
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL311663 CHEMBL1614108 (1) CHEMBL1613886 (1)
0 / 1
P27695 DNA-(apurinic or apyrimidinic site) lyase Enzyme CHEMBL297453 CHEMBL311663 CHEMBL1614466 (1) CHEMBL1614211 (2)
0 / 0
P10636 Microtubule-associated protein tau Unclassified protein CHEMBL297453 CHEMBL311663 CHEMBL1614250 (2) CHEMBL1614421 (2)
CHEMBL1614502 (2)
4 / 3
Q16236 Nuclear factor erythroid 2-related factor 2 Unclassified protein CHEMBL297453 CHEMBL2114890 (1)
0 / 0
Q13627 Dual specificity tyrosine-phosphorylation-regulated kinase 1A CMGC dual-specificity kinase DYRK1 CHEMBL297453 CHEMBL1937068 (1) CHEMBL1937069 (1)
CHEMBL1937071 (1) CHEMBL1937072 (1)
1 / 0
O14746 Telomerase reverse transcriptase Enzyme CHEMBL297453 CHEMBL2175294 (1) CHEMBL2175297 (1)
CHEMBL2175302 (1) CHEMBL2175304 (1)
CHEMBL2175309 (1) CHEMBL2175310 (1)
5 / 5
P10415 Apoptosis regulator Bcl-2 Other cytosolic protein CHEMBL297453 CHEMBL937576 (1)
0 / 7
Q9UBT6 DNA polymerase kappa Enzyme CHEMBL311663 CHEMBL1794536 (1)
0 / 0
B2RXH2 Lysine-specific demethylase 4E Enzyme CHEMBL297453 CHEMBL311663 CHEMBL1613914 (2)
0 / 0
P46063 ATP-dependent DNA helicase Q1 Enzyme CHEMBL297453 CHEMBL311663 CHEMBL1613829 (2)
0 / 0
Q96KQ7 Histone-lysine N-methyltransferase EHMT2 Enzyme CHEMBL297453 CHEMBL1738442 (1)
0 / 0
Q9NUW8 Tyrosyl-DNA phosphodiesterase 1 Enzyme CHEMBL297453 CHEMBL311663 CHEMBL1614364 (2)
1 / 1
O00255 Menin Unclassified protein CHEMBL297453 CHEMBL311663 CHEMBL1614257 (2)
2 / 5
Q03164 Histone-lysine N-methyltransferase 2A Enzyme CHEMBL297453 CHEMBL311663 CHEMBL1614257 (2)
1 / 3

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (48)

OMIM preferred title UniProt
#300438 17-beta-hydroxysteroid dehydrogenase x deficiency Q99714
#609135 Aplastic anemia O14746
#210900 Bloom syndrome; blm P54132
%606641 Body mass index; bmi P37231
#609338 Carotid intimal medial thickness 1 P37231
#604121 Cerebellar ataxia, deafness, and narcolepsy, autosomal dominant; adcadn P26358
#605479 Cholestasis, benign recurrent intrahepatic, 2; bric2 O95342
#601847 Cholestasis, progressive familial intrahepatic, 2; pfic2 O95342
#162800 Cyclic neutropenia P08246
#119900 Digital clubbing, isolated congenital P15428
#613989 Dyskeratosis congenita, autosomal dominant, 2; dkca2 O14746
#600274 Frontotemporal dementia; ftd P10636
#230200 Galactokinase deficiency P51570
#613659 Gastric cancer P04626
#137215 Gastric cancer, hereditary diffuse; hdgc P04626
#137800 Glioma susceptibility 1; glm1 P04626
P37231
#232300 Glycogen storage disease ii P10253
#605130 Hairy elbows, short stature, facial dysmorphism, and developmental delay Q03164
#114550 Hepatocellular carcinoma P08581
#145000 Hyperparathyroidism 1; hrpt1 O00255
#259100 Hypertrophic osteoarthropathy, primary, autosomal recessive, 1; phoar1 P15428
#604367 Lipodystrophy, familial partial, type 3; fpld3 P37231
#613688 Long qt syndrome 2; lqt2 Q12809
#211980 Lung cancer P04626
#613839 Megaloblastic anemia due to dihydrofolate reductase deficiency P00374
#615134 Melanoma, cutaneous malignant, susceptibility to, 9; cmm9 O14746
#614104 Mental retardation, autosomal dominant 7; mrd7 Q13627
#300705 Mental retardation, x-linked 17; mrx17 Q99714
#300220 Mental retardation, x-linked, syndromic 10; mrxs10 Q99714
#259600 Multicentric osteolysis, nodulosis, and arthropathy; mona P08253
#131100 Multiple endocrine neoplasia, type i; men1 O00255
#607948 Mycobacterium tuberculosis, susceptibility to P11473
#614116 Neuropathy, hereditary sensory, type ie; hsn1e P26358
#202700 Neutropenia, severe congenital, 1, autosomal dominant; scn1 P08246
#601665 Obesity P37231
#167000 Ovarian cancer P04626
#260540 Parkinson-dementia syndrome P10636
#172700 Pick disease of brain P10636
#614742 Pulmonary fibrosis and/or bone marrow failure, telomere-related, 1; pfbmft1 O14746
#178500 Pulmonary fibrosis, idiopathic; ipf O14746
#605074 Renal cell carcinoma, papillary, 1; rccp1 P08581
#609620 Short qt syndrome 1; sqt1 Q12809
#607250 Spinocerebellar ataxia, autosomal recessive, with axonal neuropathy; scan1 Q9NUW8
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636
#188570 Thyroid hormone resistance, generalized, autosomal dominant; grth P10828
#274300 Thyroid hormone resistance, generalized, autosomal recessive; grth P10828
#145650 Thyroid hormone resistance, selective pituitary; prth P10828
#277440 Vitamin d-dependent rickets, type 2a; vddr2a P11473

KEGG DISEASE (54)

KEGG disease name UniProt
H00033 Adrenal carcinoma O00255 (related)
H00034 Carcinoid O00255 (related)
H00045 Malignant islet cell carcinoma O00255 (related)
H00246 Primary hyperparathyroidism O00255 (related)
H01102 Pituitary adenomas O00255 (related)
H00764 Cri du chat syndrome O14746 (related)
H01132 Aplastic anemia (AA) O14746 (related)
H01299 Idiopathic pulmonary fibrosis O14746 (related)
H00022 Bladder cancer O14746 (marker)
P04626 (related)
H00024 Prostate cancer O14746 (marker)
H00624 Familial cholestasis O95342 (related)
H01197 Dihydrofolate reductase (DHFR) deficiency P00374 (related)
H00018 Gastric cancer P04626 (related)
P08581 (related)
P10415 (related)
H00019 Pancreatic cancer P04626 (related)
H00026 Endometrial Cancer P04626 (related)
H00027 Ovarian cancer P04626 (related)
H00028 Choriocarcinoma P04626 (related)
P08253 (related)
P10415 (related)
H00030 Cervical cancer P04626 (related)
P10415 (related)
H00031 Breast cancer P04626 (related)
P04626 (marker)
H00046 Cholangiocarcinoma P04626 (related)
P08581 (related)
P35354 (related)
H00100 Neutropenic disorders P08246 (related)
H00025 Penile cancer P08253 (related)
P35354 (related)
H00472 Torg-Winchester syndrome P08253 (related)
H00021 Renal cell carcinoma P08581 (related)
H00036 Osteosarcoma P08684 (marker)
H00069 Glycogen storage diseases (GSD) P10253 (related)
H00005 Chronic lymphocytic leukemia (CLL) P10415 (related)
H00013 Small cell lung cancer P10415 (related)
H00041 Kaposi's sarcoma P10415 (related)
H00054 Nasopharyngeal cancer P10415 (related)
H00058 Amyotrophic lateral sclerosis (ALS) P10636 (related)
H00077 Progressive supranuclear palsy (PSP) P10636 (related)
H00078 Frontotemporal lobar degeneration (FTLD) P10636 (related)
H00249 Thyroid hormone resistance syndrome P10828 (related)
H00342 Tuberculosis P11473 (related)
H00784 Localized autosomal recessive hypotrichosis P11473 (related)
H01143 Vitamin D-dependent rickets P11473 (related)
H00457 Primary hypertrophic osteoarthropathy (PHO) P15428 (related)
H01246 Isolated congenital nail clubbing (ICNC) P15428 (related)
H00017 Esophageal cancer P35354 (related)
H00032 Thyroid cancer P37231 (related)
H00409 Type II diabetes mellitus P37231 (related)
H00420 Familial partial lipodystrophy (FPL) P37231 (related)
H00070 Galactosemia P51570 (related)
H00094 DNA repair defects P54132 (related)
H00296 Defects in RecQ helicases P54132 (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)
H00720 Long QT syndrome Q12809 (related)
H00725 Short QT syndrome Q12809 (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)