| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 8th, 2006 | 24 | Yes |
Popular Name: 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4H-chromen-4-one 5,7-Dihydroxy-2-(3-hydroxy-4-met…
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CAS Numbers: 33429-83-3 , [33429-83-3]
3,4'-DIMETHOXY-3',5,7-TRIHYDROXYFLAVONE
3,4'-Dimethoxy-5,7,3'-trihydroxyflavone [33429-83-3]; (5,7,3'-Trihydroxy-3,4'-dimethoxyflavone)
4H-1-Benzopyran-4-one,5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-
| 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) | 2.27 | 1.16 | -15.04 | 3 | 7 | 0 | 109 | 330.292 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.53 | 1.45 | -45.8 | 2 | 7 | -1 | 112 | 329.284 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| M.P. | 229 230 C | Indofine |
| MP | 229-230o C | Indofine |
| SOLUBILITY | Slightly in alcohols | Indofine |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TBB1-1-E | Tubulin Beta-1 Chain (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3000 | 0.32 | Binding ≤ 10μM |
| TBB3-1-E | Tubulin Beta-3 Chain (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3000 | 0.32 | Binding ≤ 10μM |
| TBB4A-1-E | Tubulin Beta-4 Chain (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3000 | 0.32 | Binding ≤ 10μM |
| TBB4B-1-E | Tubulin Beta-2 Chain (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3000 | 0.32 | Binding ≤ 10μM |
| TBB8-1-E | Tubulin Beta-8 Chain (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3000 | 0.32 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TBB1_HUMAN | Q9H4B7 | Tubulin Beta-1 Chain, Human | 3000 | 0.32 | Binding ≤ 10μM |
| TBB4B_HUMAN | P68371 | Tubulin Beta-2 Chain, Human | 3000 | 0.32 | Binding ≤ 10μM |
| TBB3_HUMAN | Q13509 | Tubulin Beta-3 Chain, Human | 3000 | 0.32 | Binding ≤ 10μM |
| TBB4A_HUMAN | P04350 | Tubulin Beta-4 Chain, Human | 3000 | 0.32 | Binding ≤ 10μM |
| TBB8_HUMAN | Q3ZCM7 | Tubulin Beta-8 Chain, Human | 3000 | 0.32 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Formation of tubulin folding intermediates by CCT/TriC | |
| Gap junction assembly | |
| Kinesins | |
| Loss of Nlp from mitotic centrosomes | |
| Loss of proteins required for interphase microtubule organization from the ce | |
| MHC class II antigen presentation | |
| Microtubule-dependent trafficking of connexons from Golgi to the plasma membrane | |
| Mitotic Prometaphase | |
| Post-chaperonin tubulin folding pathway | |
| Prefoldin mediated transfer of substrate to CCT/TriC | |
| Recruitment of mitotic centrosome proteins and complexes | |
| Recruitment of NuMA to mitotic centrosomes | |
| Recycling pathway of L1 | |
| Regulation of PLK1 Activity at G2/M Transition | |
| Resolution of Sister Chromatid Cohesion | |
| Separation of Sister Chromatids | |
| Translocation of GLUT4 to the plasma membrane |
