| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 18 | No |
Popular Name: Piceatannol Piceatannol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 10083-24-6 , 10083-24-6; 4339-71-3 , 106325-86-4 , 4339-71-3 , [10083-24-6]
(E)-4-(3,5-Dihydroxystyryl)benzene-1,2-diol
10083-24-6; 3,3',4'5-Tetrahydroxystilbene; C05901; Piceatannol
3,4,3',5'-Tetrahydroxy-trans-stilbene;Piceatannol
| 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) | 2.50 | -1.28 | -10.92 | 4 | 4 | 0 | 81 | 244.246 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 108 / 0.04 | TCI |
| Mp [°C] | 223 - 227 | Acros Organics |
| ALOGPS_SOLUBILITY | 9.70e-02 g/l | DrugBank-experimental |
| Purity | >98% | Fluorochem |
| Patent Database Links | EP1574499; GB2362101; US2006160773; US2007212395; US2007248590; US2008268097; WO2005007635; WO2005085196 | ChEBI |
| Target | Others | Selleck Chemicals |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| UniProt Database Links | SIR1_HUMAN; SIR1_MOUSE | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KSYK-1-E | Tyrosine-protein Kinase SYK (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.39 | Binding ≤ 10μM |
| LCK-3-E | Tyrosine-protein Kinase LCK (cluster #3 Of 4), Eukaryotic | Eukaryotes | 5000 | 0.41 | Binding ≤ 10μM |
| Z50425-11-O | Plasmodium Falciparum (cluster #11 Of 22), Other | Other | 10000 | 0.39 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LCK_HUMAN | P06239 | Tyrosine-protein Kinase LCK, Human | 5000 | 0.41 | Binding ≤ 10μM |
| KSYK_HUMAN | P43405 | Tyrosine-protein Kinase SYK, Human | 10000 | 0.39 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 10000 | 0.39 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Antigen activates B Cell Receptor (BCR) leading to generation of second messenge | |
| CD28 co-stimulation | |
| CD28 dependent PI3K/Akt signaling | |
| CD28 dependent Vav1 pathway | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| CTLA4 inhibitory signaling | |
| DAP12 signaling | |
| Downstream TCR signaling | |
| Fc epsilon receptor (FCERI) signaling | |
| FCERI mediated Ca+2 mobilization | |
| FCERI mediated MAPK activation | |
| FCGR activation | |
| Generation of second messenger molecules | |
| GPVI-mediated activation cascade | |
| Integrin alphaIIb beta3 signaling | |
| Interleukin-2 signaling | |
| Nef and signal transduction | |
| Nef Mediated CD4 Down-regulation | |
| PD-1 signaling | |
| PECAM1 interactions | |
| Phosphorylation of CD3 and TCR zeta chains | |
| PIP3 activates AKT signaling | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Regulation of KIT signaling | |
| Regulation of signaling by CBL | |
| Role of LAT2/NTAL/LAB on calcium mobilization | |
| Role of phospholipids in phagocytosis | |
| Signaling by SCF-KIT | |
| Translocation of ZAP-70 to Immunological synapse |
