KNApSAcK Metabolite C00008817
Metabolite
KNApSAcK Entry
| id | C00008817 |
|---|---|
| Name | Gallocatechin / (+)-Gallocatechin / (+)-Gallocatechol / (2R,3S)-3,4-Dihydro-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,5,7-triol |
| CAS RN | 970-73-0 |
| Standard InChI | InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2 |
Cluster
| Phytochemical cluster | No. 14 |
|---|---|
| KCF-S cluster | No. 52 |
Link
ChEMBL
| By standard InChI | CHEMBL125743 |
|---|---|
| By standard InChI Main Layer | CHEMBL47386 CHEMBL125743 CHEMBL130415 CHEMBL264167 CHEMBL404845 |
KEGG
| By LinkDB | C12127 |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 94 |
| asterids | 3 |
| Liliopsida | 1 |
| Spermatophyta | 1 |
| Magnoliophyta | 1 |
Family (Top 10)
| family name | count |
|---|---|
| Fabaceae | 87 |
| Vitaceae | 2 |
| Euphorbiaceae | 2 |
| Poaceae | 1 |
| Ericaceae | 1 |
| Cistaceae | 1 |
| Ginkgoaceae | 1 |
| Rhizophoraceae | 1 |
| Theaceae | 1 |
| Lauraceae | 1 |
List (100)
* NCBI
Human Protein / Gene in interaction
26 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P35354 | Prostaglandin G/H synthase 2 | Oxidoreductase | CHEMBL125743 |
CHEMBL1008510
(1)
|
0 / 3 |
| P52209 | 6-phosphogluconate dehydrogenase, decarboxylating | Enzyme | CHEMBL47386 CHEMBL264167 |
CHEMBL921930
(2)
|
0 / 0 |
| P47989 | Xanthine dehydrogenase/oxidase | Oxidoreductase | CHEMBL47386 |
CHEMBL1023248
(1)
|
1 / 1 |
| P02768 | Serum albumin | Secreted protein | CHEMBL47386 |
CHEMBL1177441
(1)
|
0 / 0 |
| P11473 | Vitamin D3 receptor | NR1I1 | CHEMBL404845 |
CHEMBL1794311
(1)
|
2 / 3 |
| P23219 | Prostaglandin G/H synthase 1 | Oxidoreductase | CHEMBL125743 |
CHEMBL1008496
(1)
|
0 / 0 |
| P41145 | Kappa-type opioid receptor | Opioid receptor | CHEMBL47386 |
CHEMBL926465
(1)
CHEMBL926470
(1)
|
0 / 0 |
| P00352 | Retinal dehydrogenase 1 | Enzyme | CHEMBL404845 |
CHEMBL1614458
(1)
|
0 / 0 |
| P41143 | Delta-type opioid receptor | Opioid receptor | CHEMBL47386 |
CHEMBL926467
(1)
CHEMBL926472
(1)
|
0 / 0 |
| O94782 | Ubiquitin carboxyl-terminal hydrolase 1 | Enzyme | CHEMBL404845 |
CHEMBL1794467
(1)
|
0 / 0 |
| P08581 | Hepatocyte growth factor receptor | TK tyrosine-protein kinase MET subfamily | CHEMBL47386 |
CHEMBL1056839
(1)
|
2 / 3 |
| P56817 | Beta-secretase 1 | A1A | CHEMBL125743 CHEMBL130415 |
CHEMBL653507
(2)
|
0 / 0 |
| Q99714 | 3-hydroxyacyl-CoA dehydrogenase type-2 | Enzyme | CHEMBL404845 |
CHEMBL1613910
(1)
|
3 / 3 |
| P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | Enzyme | CHEMBL404845 |
CHEMBL1614038
(1)
|
2 / 2 |
| P00374 | Dihydrofolate reductase | Oxidoreductase | CHEMBL47386 |
CHEMBL930269
(1)
|
1 / 1 |
| P35372 | Mu-type opioid receptor | Opioid receptor | CHEMBL47386 |
CHEMBL926466
(1)
CHEMBL926471
(1)
|
0 / 0 |
| P16050 | Arachidonate 15-lipoxygenase | Enzyme | CHEMBL404845 |
CHEMBL1614240
(1)
|
0 / 0 |
| P27695 | DNA-(apurinic or apyrimidinic site) lyase | Enzyme | CHEMBL404845 |
CHEMBL1614466
(1)
CHEMBL1614211
(1)
|
0 / 0 |
| P10636 | Microtubule-associated protein tau | Unclassified protein | CHEMBL404845 |
CHEMBL1614250
(1)
CHEMBL1614421
(1)
CHEMBL1614502 (1) |
4 / 3 |
| P10415 | Apoptosis regulator Bcl-2 | Other cytosolic protein | CHEMBL47386 |
CHEMBL937576
(1)
|
0 / 7 |
| Q9UBT6 | DNA polymerase kappa | Enzyme | CHEMBL404845 |
CHEMBL1794536
(1)
|
0 / 0 |
| B2RXH2 | Lysine-specific demethylase 4E | Enzyme | CHEMBL404845 |
CHEMBL1613914
(1)
|
0 / 0 |
| P46063 | ATP-dependent DNA helicase Q1 | Enzyme | CHEMBL404845 |
CHEMBL1613829
(1)
|
0 / 0 |
| Q9NUW8 | Tyrosyl-DNA phosphodiesterase 1 | Enzyme | CHEMBL404845 |
CHEMBL1614364
(1)
CHEMBL1738394
(1)
|
1 / 1 |
| Q13951 | Core-binding factor subunit beta | Unclassified protein | CHEMBL404845 |
CHEMBL1613933
(1)
|
0 / 1 |
| Q01196 | Runt-related transcription factor 1 | Unclassified protein | CHEMBL404845 |
CHEMBL1613933
(1)
|
1 / 6 |
Related Disease
Diseases related to proteins in ChEMBL interactions
OMIM (17)
| OMIM | preferred title | UniProt |
|---|---|---|
| #300438 | 17-beta-hydroxysteroid dehydrogenase x deficiency |
Q99714
|
| #119900 | Digital clubbing, isolated congenital |
P15428
|
| #600274 | Frontotemporal dementia; ftd |
P10636
|
| #114550 | Hepatocellular carcinoma |
P08581
|
| #259100 | Hypertrophic osteoarthropathy, primary, autosomal recessive, 1; phoar1 |
P15428
|
| #613839 | Megaloblastic anemia due to dihydrofolate reductase deficiency |
P00374
|
| #300705 | Mental retardation, x-linked 17; mrx17 |
Q99714
|
| #300220 | Mental retardation, x-linked, syndromic 10; mrxs10 |
Q99714
|
| #607948 | Mycobacterium tuberculosis, susceptibility to |
P11473
|
| #260540 | Parkinson-dementia syndrome |
P10636
|
| #172700 | Pick disease of brain |
P10636
|
| #601399 | Platelet disorder, familial, with associated myeloid malignancy |
Q01196
|
| #605074 | Renal cell carcinoma, papillary, 1; rccp1 |
P08581
|
| #607250 | Spinocerebellar ataxia, autosomal recessive, with axonal neuropathy; scan1 |
Q9NUW8
|
| #601104 | Supranuclear palsy, progressive, 1; psnp1 |
P10636
|
| #277440 | Vitamin d-dependent rickets, type 2a; vddr2a |
P11473
|
| #278300 | Xanthinuria, type i |
P47989
|
KEGG DISEASE (29)
| KEGG | disease name | UniProt |
|---|---|---|
| H01197 | Dihydrofolate reductase (DHFR) deficiency |
P00374
(related)
|
| H00018 | Gastric cancer |
P08581
(related)
P10415 (related) |
| H00021 | Renal cell carcinoma |
P08581
(related)
|
| H00046 | Cholangiocarcinoma |
P08581
(related)
P35354 (related) |
| H00005 | Chronic lymphocytic leukemia (CLL) |
P10415
(related)
|
| H00013 | Small cell lung cancer |
P10415
(related)
|
| H00028 | Choriocarcinoma |
P10415
(related)
|
| H00030 | Cervical 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)
|
| 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)
|
| H00025 | Penile cancer |
P35354
(related)
|
| H00192 | Xanthinuria |
P47989
(related)
|
| H00001 | Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) |
Q01196
(related)
Q01196 (marker) |
| H00003 | Acute myeloid leukemia (AML) |
Q01196
(related)
Q01196 (marker) Q13951 (marker) |
| H00004 | Chronic myeloid leukemia (CML) |
Q01196
(related)
|
| H00978 | Thrombocytopenia (THC) |
Q01196
(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)
|