| Compound | Arctigenin |
| NPACT-Id | NPACT00273 |
| IUPAC | (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one |
| Synonyms | (-)-Arctigenin;Arctigenen |
| PubChem Id | 64981 |
| Class | Lignans |
| In-vitro anticancer activity | 5 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | NQWVSMVXKMHKTF-JKSUJKDBSA-N |
| InChi | 1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1 |
| SMILES | O1C[C@@H]([C@@H](Cc2cc(OC)c(O)cc2)C1=O)Cc1cc(OC)c(OC)cc1 |
|
SMART | [H]OC1=C(OC([H])([H])[H])C([H])=C(C([H])=C1[H])C([H])([H])[C@@]1([H])C(=O)OC([H])([H])[C@]1([H])C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1[H] |
| CAS No. | 7770-78-7 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C071942 |
| HIT | C0549 |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, Ambinter, IS Chemical Technology, MolPort, Sigma-Aldrich, 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 |