| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 21 | No |
Popular Name: 2,3-Dimethoxy-2'-hydroxychalcone 2,3-Dimethoxy-2'-hydroxychalcone
Find On: PubMed — Wikipedia — Google
CAS Number: 42220-80-4
| 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) | 3.39 | 1.65 | -14.61 | 1 | 4 | 0 | 55 | 284.311 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 101-102.8 oC | Indofine |
| M.P. | 102-103 C | Indofine |
| SOLUBILITY | Soluble in Chloroform | Indofine |
| APPEARANCE | Yellow shining powder | Indofine |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PGH2-1-E | Cyclooxygenase-2 (cluster #1 Of 8), Eukaryotic | Eukaryotes | 3800 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PGH2_MOUSE | Q05769 | Cyclooxygenase-2, Mouse | 3800 | 0.36 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Nicotinamide salvaging | |
| Synthesis of 15-eicosatetraenoic acid derivatives | |
| Synthesis of Prostaglandins (PG) and Thromboxanes (TX) |
