| Compound | hinokinin |
| NPACT-Id | NPACT01226 |
| IUPAC | - |
| Synonyms | (-)-Hinokinin;(3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-one;(3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydrofuran-2(3H)-one;(3R-trans)-3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydrofuran-2(3H)-one; |
| PubChem Id | 442879 |
| Class | Lignans |
| In-vitro anticancer activity | 3 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | CASP3 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | DDWGQGZPYDSYEL-LSDHHAIUSA-N |
| InChi | 1S/C20H18O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15H,5-6,9-11H2/t14-,15+/m0/s1 |
| SMILES | O1C[C@@H]([C@@H](Cc2cc3OCOc3cc2)C1=O)Cc1cc2OCOc2cc1 |
|
SMART | [H]C1=C([H])C(=C([H])C2=C1OC([H])([H])O2)C([H])([H])[C@@]1([H])C(=O)OC([H])([H])[C@]1([H])C([H])([H])C1=C([H])C2=C(OC([H])([H])O2)C([H])=C1[H] |
| CAS No. | 26543-89-5 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C475934 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, 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 |