| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 21 | Yes |
Popular Name: Sakuranetin Sakuranetin
(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one
(2S)-Sakuranetin; 2957-21-3; C09833; Naringenin 7-methyl ether; Sakuranetin
5,4'-Dihydroxy-7-methoxyflavanone monohydrate with HPLC [2957-21-3]; (Sakuranetin w/HPLC)
5,4'-Dihydroxy-7-Methoxyflavanone with HPLC [2957-21-3]; (Sakuranetin with HPLC)
5,4'-DIHYDROXY-7-METHOXYFLAVANONE; [2957-21-3]
5-Hydroxy-2-(4-hydroxy-phenyl)-7-methoxy-chroman-4-one
| 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) | 2.65 | 3.02 | -9.8 | 2 | 5 | 0 | 76 | 286.283 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.65 | 4.02 | -51.43 | 1 | 5 | -1 | 79 | 285.275 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| M.P. | 153-154 C | Indofine |
| MP | 153-154o C | Indofine |
| M.P | 153-154°C | Indofine |
| ALOGPS_SOLUBILITY | 8.83e-02 g/l | DrugBank-experimental |
| PUBCHEM_PATENT_ID | EP0320227A2; EP0320227B1; EP0719554A1; EP0742012A2; EP0819759A1; EP0840804A1; EP0840804B1; EP0850320A2; EP0850320B1; EP0868535A2; EP0868535B1; EP0885192A1; EP0922387A1; EP0962464A2; EP0962537A2; EP0992511A1; US4105675; US4933399; US5561116; US5650433; US5 | IBM Patent Data |
| SOLUBILITY | Merck Index 12,8470 | Indofine |
| UniProt Database Links | NOMT_ORYSJ; OMT1_ORYSJ | ChEBI |
| SOLUBILITY | Soluble in Water,alcohol,ether,ethylacetate,pyridine; Hygroscopic | Indofine |
| Patent Database Links | US2003157197; US2007224301 | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R-3-E | Adenosine A1 Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 8180 | 0.34 | Binding ≤ 10μM |
| AA3R-3-E | Adenosine Receptor A3 (cluster #3 Of 6), Eukaryotic | Eukaryotes | 3400 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 8180 | 0.34 | Binding ≤ 10μM |
| AA3R_HUMAN | P33765 | Adenosine A3 Receptor, Human | 3400 | 0.36 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Adenosine P1 receptors | |
| G alpha (i) signalling events |
