| Compound | Licochalcone A |
| NPACT-Id | NPACT00710 |
| IUPAC | (E)-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one |
| Synonyms | 3-Dimethylallyl-4,4'-dihydroxy-6-methoxychalcone;2-Propen-1-one, 3-(5-(1,1-dimethyl-2-propenyl)-4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)-,(E)-;LICOAGROCHACONE A;Licochalcone-A, Synthetic |
| PubChem Id | 5318998 |
| Class | Flavonoid |
| In-vitro anticancer activity | 4 cancer cell lines |
| In-Vivo anticancer activity | Yes |
| Targets | BAX | BCL2 | CASP3 | COX-2 | CTNNBIP1 | CycA | CycB | MDM2 | MMP9 | NFKBIA | NOS2 | PARP1 | RB1 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | KAZSKMJFUPEHHW-DHZHZOJOSA-N |
| InChi | 1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ |
| SMILES | Oc1c(C(C)(C)C=C)cc(c(OC)c1)/C=C/C(=O)c1ccc(O)cc1 |
|
SMART | [H]OC1=C([H])C([H])=C(C([H])=C1[H])C(=O)C([H])=C(/[H])C1=C([H])C(=C(O[H])C([H])=C1OC([H])([H])[H])[C@](C([H])=C([H])[H])(C([H])([H])[H])C([H])([H])[H] |
| CAS No. | 58749-22-7 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C070840 |
| HIT | C0135 |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, Ambinter, Calbiochem, ChemMol, Therapeutic Targets Database, ZINC, |
| Drug-Likeliness Filters | Lipinski's rule of five | Yes |
| Ghose filter | Yes |
| Veber filter | Yes |
| Muegge Filter | Yes |
| Similarity Search | Human metabolite database | FDA approved drugs |