| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 20th, 2005 | 20 | No |
Popular Name: 6-shogaol 6-shogaol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 555-66-8 , [23513-13-5] , [555-66-8]
(6)-Shogaol; 4-Decen-3-one, 1-(4-hydroxy-3-methoxyphenyl)-; CCRIS 2038; LS-59420; Shogaol
(e)-1-(4-hydroxy-3-methoxy-phenyl)dec-4-en-3-one
(E)-1-(4-Hydroxy-3-methoxyphenyl)dec-4-en-3-one
1-(4-Hydroxy-3-methoxyphenyl)-4-decen-3-one
1-(4-Hydroxy-3-methoxyphenyl)-4-dodecen-3-one, 9CI;[8]-Shogaol
| 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) | 4.35 | 8.28 | -8.67 | 1 | 3 | 0 | 47 | 276.376 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | Ornithine decarboxylase(P11926)&Ryanodine receptor 2(Q92736)&Transcription factor p65(Q04206)&Caspase-3(P42574)&Mitogen-activated protein kinase 1(P28482)&Protein kinase C beta type(P05771)&Tissue-type plasminogen activator(P00750)&Thrombomodulin(P07204) | Herbal Ingredients Targets |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX5-1-E | Arachidonate 5-lipoxygenase (cluster #1 Of 6), Eukaryotic | Eukaryotes | 7400 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX5_HUMAN | P09917 | Arachidonate 5-lipoxygenase, Human | 7400 | 0.36 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis of 5-eicosatetraenoic acids | |
| Synthesis of Leukotrienes (LT) and Eoxins (EX) | |
| Synthesis of Lipoxins (LX) |
No pre-computed analogs available. Try a structural similarity search.