| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 17 | Yes |
Popular Name: Flavanone Flavanone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 487-26-3 , 525-82-6 , [487-26-3]
2,3-Dihydroflavone; C00766; Flavanone
2-phenyl-2,3-dihydro-4H-chromen-4-one
2-phenyl-3,4-dihydro-2H-1-benzopyran-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) | 3.18 | 8.04 | -6.33 | 0 | 2 | 0 | 26 | 224.259 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 75 - 77 | Enamine Building Blocks |
| Melting_Point | 75-79? | Alfa-Aesar |
| Melting_Point | 75-79° | Alfa-Aesar |
| MP | 75...77 | Enamine Building Blocks |
| MP | 76 | TCI |
| M.P. | 76-78 C | Indofine |
| MP | 76-78o C | Indofine |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| UniProt Database Links | CF1B1_SOYBN; CF1B2_SOYBN; CFI1A_SOYBN; CFI1_ARATH; CFI1_CHRMO; CFI1_FRAAN; CFI1_LOTJA; CFI1_MEDSA; CFI1_PETHY; CFI1_SOYBN; CFI1_VITVI; CFI2A_SOYBN; CFI2B_SOYBN; CFI2_ARATH; CFI2_CHRMO; CFI2_FRAAN; CFI2_LOTJA; CFI2_MEDSA; CFI2_PETHY; CFI2_VITVI; CFI3_ARATH | ChEBI |
| Patent Database Links | EP0774249; EP0920870; EP1440688; EP1502915; EP1640371; EP1987810; US2004029914; US2005014819; US2007184098; WO2005000831; WO2006094357; WO2007135592 | ChEBI |
| SOLUBILITY | Soluble in Methanol | Indofine |
| APPEARANCE | White crystals | Indofine |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFB-2-E | Monoamine Oxidase B (cluster #2 Of 8), Eukaryotic | Eukaryotes | 2870 | 0.46 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFB_HUMAN | P27338 | Monoamine Oxidase B, Human | 2870 | 0.46 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Monoamines are oxidized to aldehydes by MAOA and MAOB, producing NH3 and H2O2 |
