| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 25 | No |
Popular Name: licochalcone a licochalcone a
Find On: PubMed — Wikipedia — Google
CAS Numbers: 58749-22-7 , [58749-22-7]
(E)-3-[5-(1,1-Dimethyl-2-propenyl)-4-hydroxy-2-methoxyphenyl]-1-(4-hyd
4?,4-Dihydroxy-3-alpha,alpha-dimethylallyl-6-methoxychalcone
| 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) | 4.85 | 0.57 | -11.39 | 2 | 4 | 0 | 66 | 338.403 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | Urokinase-type plasminogen activator(P00749)&Hyaluronan synthase 2(Q92819)&Tyrosinase(P14679)&Acyl-CoA wax alcohol acyltransferase 1(Q58HT5)&Prostaglandin G/H synthase 2(P35354)&Myeloperoxidase(P05164)&Calmodulin(P62158)&Succinate dehydrogenase [ubiquinon | Herbal Ingredients Targets |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50038-1-O | Plasmodium Yoelii Yoelii (cluster #1 Of 2), Other | Other | 1 | 0.50 | Functional ≤ 10μM |
| Z50459-1-O | Leishmania Donovani (cluster #1 Of 8), Other | Other | 650 | 0.35 | Functional ≤ 10μM |
| Z50460-1-O | Leishmania Major (cluster #1 Of 4), Other | Other | 4000 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50459 | Z50459 | Leishmania Donovani | 650 | 0.35 | Functional ≤ 10μM |
| Z50460 | Z50460 | Leishmania Major | 4000 | 0.30 | Functional ≤ 10μM |
| Z50038 | Z50038 | Plasmodium Yoelii Yoelii | 0.927 | 0.51 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.