| Compound | (-)-Deoxypodorhizone |
| NPACT-Id | NPACT01036 |
| IUPAC | 4-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3h)-one |
| Synonyms | 4-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3h)-one;(+)-Deoxypodorhizon;PODORHIZON, (+)-DEOXY;2-(3,4,5-Trimethoxybenzyl)-3-(3,4-methylenedioxybenzyl) butyrolactone;4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one;2(3H)-Furanone, 4-(1,3-benzodioxol-5-ylmethyl)dihydro-3-((3,4,5-trimethoxyphenyl)methyl)-; |
| PubChem Id | 2988 |
| Class | Lignans |
| In-vitro anticancer activity | 2 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | GMLDZDDTZKXJLU-UHFFFAOYSA-N |
| InChi | 1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3 |
| SMILES | O1CC(C(Cc2cc(OC)c(OC)c(OC)c2)C1=O)Cc1cc2OCOc2cc1 |
|
SMART | [H]C1=C([H])C(=C([H])C2=C1OC([H])([H])O2)C([H])([H])[C@]1([H])C([H])([H])OC(=O)[C@@]1([H])C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H] |
| CAS No. | 61091-56-3 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C009567 |
| 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 |