| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 1st, 2006 | 24 | No |
Popular Name: 4-[4-(3,4-dimethoxyphenyl)-2,3-dimethyl-butyl]benzene-1,2-diol 4-[4-(3,4-dimethoxyphenyl)-2,3-d…
| 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) | 4.09 | -0.27 | -11.03 | 2 | 4 | 0 | 58 | 330.424 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX1-1-E | Seed Lipoxygenase-1 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 3100 | 0.32 | Binding ≤ 10μM |
| LOX15-3-E | Arachidonate 15-lipoxygenase (cluster #3 Of 5), Eukaryotic | Eukaryotes | 580 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX15_HUMAN | P16050 | Arachidonate 15-lipoxygenase, Human | 580 | 0.36 | Binding ≤ 1μM |
| LOX15_HUMAN | P16050 | Arachidonate 15-lipoxygenase, Human | 580 | 0.36 | Binding ≤ 10μM |
| LOX1_SOYBN | P08170 | Seed Lipoxygenase-1, Soybn | 3100 | 0.32 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis of 12-eicosatetraenoic acid derivatives | |
| Synthesis of 15-eicosatetraenoic acid derivatives | |
| Synthesis of Leukotrienes (LT) and Eoxins (EX) |
