| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 20 | No |
Popular Name: 6,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one 6,7-Dihydroxy-3-(4-hydroxyphenyl…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 17817-31-1 , [17817-31-1]
17817-31-1; 4',6,7-Trihydroxyisoflavone; 6-Hydroxydaidzein; C14314
6,7,4'-Trihydroxyisoflavone [17817-31-1]; (Demethyltexasin)
6,7,4'-Trihydroxyisoflavone, 98% [17817-31-1]
6,7,4'-trihydroxyisoflavone; 6-Hydroxydaidzein
| 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) | 2.07 | -3.1 | -15.26 | 3 | 5 | 0 | 90 | 270.24 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| UniProt Database Links | 7OMT6_MEDSA; 7OMT8_MEDSA; 7OMT9_MEDSA | ChEBI |
| APPEARANCE | Off white powder | Indofine |
| SOLUBILITY | Soluble in DMF | Indofine |
| M.P. | ~330 C (dec) | Indofine |
| MP | ~330o C | Indofine |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX12-2-E | Arachidonate 12-lipoxygenase (cluster #2 Of 4), Eukaryotic | Eukaryotes | 8700 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX12_HUMAN | P18054 | Arachidonate 12-lipoxygenase, Human | 8700 | 0.35 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis of 12-eicosatetraenoic acid derivatives | |
| Synthesis of Hepoxilins (HX) and Trioxilins (TrX) | |
| Synthesis of Lipoxins (LX) |
