| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 23 | Yes |
Popular Name: 5,6,7-Trimethoxyflavone 5,6,7-Trimethoxyflavone
Find On: PubMed — Wikipedia — Google
CAS Number: 973-67-1
5,6,7-trimethoxy-2-phenyl-1-benzopyran-4-one
5,6,7-trimethoxy-2-phenyl-chromen-4-one
973-67-1; Baicalein 5,6,7-trimethyl ether; C10024
Baicalein 5,6,7-trimethyl ether
Baicalein-5,6,7-trimethylether
Baicalein-5,6,7-trimethylether [973-67-1]; (5,6,7-Trimethoxyflavone)
Baicalen-5,6,7-Trimethylether [973-67-1]; (5,6,7-Trimethoxyflavone)
| 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) | 3.54 | 8.55 | -11.93 | 0 | 5 | 0 | 58 | 312.321 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 164 167o C | Indofine |
| M.P. | 164-167 C | Indofine |
| Melting_Point | 165-167? | Alfa-Aesar |
| Melting_Point | 165-167° | Alfa-Aesar |
| APPEARANCE | Creamy white crystalline powder | Indofine |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80188-1-O | KB 3-1 (Cervical Epithelial Carcinoma Cells) (cluster #1 Of 2), Other | Other | 5500 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80188 | Z80188 | KB 3-1 (Cervical Epithelial Carcinoma Cells) | 5500 | 0.32 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.