| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 10 | Yes |
Popular Name: Sesamol Sesamol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 136-95-8 , 533-31-3 , [526-07-8] , [533-31-3]
| 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) | 1.35 | 0.28 | -6.34 | 1 | 3 | 0 | 39 | 138.122 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 113 / 2 | TCI |
| Boiling_Point | 113-116?/2mm | Alfa-Aesar |
| Boiling_Point | 113-116°/2mm | Alfa-Aesar |
| Melting_Point | 61-65? | Alfa-Aesar |
| Melting_Point | 61-65° | Alfa-Aesar |
| Mp [°C] | 63 - 65 | Acros Organics |
| MP | 63...65 | Enamine Building Blocks |
| MP | 64 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Fluorochem |
| Indications | antidepressant | KeyOrganics Bioactives |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Target | Xanthine dehydrogenase/oxidase(P47989)&Aspartate aminotransferase, cytoplasmic(P17174)&Nitric oxide synthase, inducible(P35228)&Catalase(P04040)&Urokinase-type plasminogen activator(P00749)&Tissue-type plasminogen activator(P00750)&Interleukin-10(P22301) | Herbal Ingredients Targets |
