| Compound | Magnolol |
| NPACT-Id | NPACT01258 |
| IUPAC | - |
| Synonyms | 2,2'-Bichavicol;5,5'-Diallyl-2,2'-dihydroxybiphenyl;5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol;(1,1'-Biphenyl)-2,2'-diol, 5,5'-di-2-propenyl-;Dehydrodichavicol; |
| PubChem Id | 72300 |
| Class | Lignans |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | Yes |
| Targets | CDK2 | CDKN1A | All | |
| Properties | Physical Elemental Topological |
| InChi Key | VVOAZFWZEDHOOU-UHFFFAOYSA-N |
| InChi | 1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2 |
| SMILES | Oc1c(c2cc(CC=C)ccc2O)cc(CC=C)cc1 |
|
SMART | [H]OC1=C(C([H])=C(C([H])=C1[H])C([H])([H])C([H])=C(/[H])[H])C1=C(O[H])C([H])=C([H])C(=C1[H])C([H])([H])C([H])=C([H])[H] |
| CAS No. | 528-43-8 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C005498 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | AAA Chemistry, ABI Chem, AKos Consulting & Solutions, Ambinter, ChemFrog, ChemMol, Hangzhou APIChem Technology, IS Chemical
Technology, MolPort, Oakwood Products, Selleck Chemicals, Sigma-Aldrich, Vitas-M Laboratory, ZINC, |
| Drug-Likeliness Filters | Lipinski's rule of five | No |
| Ghose filter | Yes |
| Veber filter | Yes |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |