| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2005 | 32 | No |
Popular Name: (-)-Epicatechin gallate (-)-Epicatechin gallate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1257-08-5 , 130405-40-2 , CAS# 1257-08-5 , [1257-08-5]
(2S,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxychroman-3-yl3,4,5-trihydroxybenzoate
3-Galloylcatechin;Catechin 3-O-gallate
[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.54 | -4.55 | -20.07 | 7 | 10 | 0 | 177 | 442.376 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.54 | -3.63 | -57.28 | 6 | 10 | -1 | 180 | 441.368 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.54 | -3.53 | -54.34 | 6 | 10 | -1 | 180 | 441.368 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 2.166 | Bitter DB |
| UniProt Database Links | AKAP9_HUMAN; ANK2_HUMAN; CAV3_HUMAN; GPD1L_HUMAN; HCN4_HUMAN; SCN1B_HUMAN; SCN2B_HUMAN; SCN3B_HUMAN; SCN4B_HUMAN; SCN5A_HUMAN; SNTA1_HUMAN | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 6PGD-1-E | 6-phosphogluconate Dehydrogenase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 210 | 0.29 | Binding ≤ 10μM |
| BCL2-1-E | Apoptosis Regulator Bcl-2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 229 | 0.29 | Binding ≤ 10μM |
| MET-1-E | Hepatocyte Growth Factor Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10000 | 0.22 | Binding ≤ 10μM |
| MK14-2-E | MAP Kinase P38 Alpha (cluster #2 Of 3), Eukaryotic | Eukaryotes | 1470 | 0.26 | Binding ≤ 10μM |
| Q965D5-1-E | Enoyl-acyl-carrier Protein Reductase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 500 | 0.28 | Binding ≤ 10μM |
| Q965D6-1-E | 3-oxoacyl-acyl-carrier Protein Reductase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1000 | 0.26 | Binding ≤ 10μM |
| Q965D7-2-E | Fatty Acid Synthase (cluster #2 Of 2), Eukaryotic | Eukaryotes | 400 | 0.28 | Binding ≤ 10μM |
| FABI-1-B | Enoyl-[acyl-carrier-protein] Reductase (cluster #1 Of 2), Bacterial | Bacteria | 10000 | 0.22 | Binding ≤ 10μM |
| G6PD-1-F | Glucose-6-phosphate 1-dehydrogenase (cluster #1 Of 1), Fungal | Fungi | 180 | 0.30 | Binding ≤ 10μM |
| Q72547-1-V | Human Immunodeficiency Virus Type 1 Reverse Transcriptase (cluster #1 Of 6), Viral | Viruses | 760 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q965D6_PLAFA | Q965D6 | 3-oxoacyl-acyl-carrier Protein Reductase, Plafa | 1000 | 0.26 | Binding ≤ 1μM |
| 6PGD_HUMAN | P52209 | 6-phosphogluconate Dehydrogenase, Human | 210 | 0.29 | Binding ≤ 1μM |
| BCL2_HUMAN | P10415 | Apoptosis Regulator Bcl-2, Human | 229.086765 | 0.29 | Binding ≤ 1μM |
| Q965D5_PLAFA | Q965D5 | Enoyl-acyl-carrier Protein Reductase, Plafa | 102 | 0.31 | Binding ≤ 1μM |
| Q965D7_PLAFA | Q965D7 | Fatty Acid Synthase, Plafa | 400 | 0.28 | Binding ≤ 1μM |
| G6PD_YEAST | P11412 | Glucose-6-phosphate 1-dehydrogenase, Yeast | 180 | 0.30 | Binding ≤ 1μM |
| Q72547_9HIV1 | Q72547 | Human Immunodeficiency Virus Type 1 Reverse Transcriptase, 9hiv1 | 760 | 0.27 | Binding ≤ 1μM |
| Q965D6_PLAFA | Q965D6 | 3-oxoacyl-acyl-carrier Protein Reductase, Plafa | 1000 | 0.26 | Binding ≤ 10μM |
| 6PGD_HUMAN | P52209 | 6-phosphogluconate Dehydrogenase, Human | 210 | 0.29 | Binding ≤ 10μM |
| BCL2_HUMAN | P10415 | Apoptosis Regulator Bcl-2, Human | 229.086765 | 0.29 | Binding ≤ 10μM |
| Q965D5_PLAFA | Q965D5 | Enoyl-acyl-carrier Protein Reductase, Plafa | 102 | 0.31 | Binding ≤ 10μM |
| FABI_ECOLI | P0AEK4 | Enoyl-[acyl-carrier-protein] Reductase, Ecoli | 10000 | 0.22 | Binding ≤ 10μM |
| Q965D7_PLAFA | Q965D7 | Fatty Acid Synthase, Plafa | 400 | 0.28 | Binding ≤ 10μM |
| G6PD_YEAST | P11412 | Glucose-6-phosphate 1-dehydrogenase, Yeast | 180 | 0.30 | Binding ≤ 10μM |
| MET_HUMAN | P08581 | Hepatocyte Growth Factor Receptor, Human | 10000 | 0.22 | Binding ≤ 10μM |
| Q72547_9HIV1 | Q72547 | Human Immunodeficiency Virus Type 1 Reverse Transcriptase, 9hiv1 | 760 | 0.27 | Binding ≤ 10μM |
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 1470 | 0.26 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| activated TAK1 mediates p38 MAPK activation | |
| Activation of BAD and translocation to mitochondria | |
| Activation of PPARGC1A (PGC-1alpha) by phosphorylation | |
| Activation of the AP-1 family of transcription factors | |
| ADP signalling through P2Y purinoceptor 1 | |
| BH3-only proteins associate with and inactivate anti-apoptotic BCL-2 members | |
| CDO in myogenesis | |
| DSCAM interactions | |
| ERK/MAPK targets | |
| KSRP destabilizes mRNA | |
| NOD1/2 Signaling Pathway | |
| Oxidative Stress Induced Senescence | |
| p38MAPK events | |
| Pentose phosphate pathway (hexose monophosphate shunt) | |
| Platelet sensitization by LDL | |
| Sema4D mediated inhibition of cell attachment and migration | |
| The NLRP1 inflammasome | |
| VEGFA-VEGFR2 Pathway |
