Compound | dimethylmatairesinol |
NPACT-Id | NPACT01191 |
IUPAC | - |
Synonyms | 3,4-Bis(3,4-dimethoxybenzyl)dihydro-2(3H)-furanone;Methylarctigenin;3,4-bis[(3,4-dimethoxyphenyl)methyl]oxolan-2-one;4-Hydroxy-2,3-diveratrylbutyric acid gamma-lactone;Butyric acid, 4-hydroxy-2,3-diveratryl-, gamma-lactone; |
PubChem Id | 1286 |
Class | Lignans |
In-vitro anticancer activity | 3 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | SNAOLIMFHAAIER-UHFFFAOYSA-N |
InChi | 1S/C22H26O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-13-28-22(23)17(16)10-15-6-8-19(25-2)21(12-15)27-4/h5-8,11-12,16-17H,9-10,13H2,1-4H3 |
SMILES | O1CC(C(Cc2cc(OC)c(OC)cc2)C1=O)Cc1cc(OC)c(OC)cc1 |
SMART | [H]C1=C([H])C(=C([H])C(OC([H])([H])[H])=C1OC([H])([H])[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. | 26846 |
|
Structure Download |
|
Cross Refrence in other databases |
Super Natural | - |
CTD | C508933 |
HIT | - |
NCI-60 GI50 data | - |
Suppliers | AAA Chemistry, ABI Chem, ChemFrog, |
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 |