| Compound | Pongapinone A |
| NPACT-Id | NPACT01296 |
| IUPAC | - |
| Synonyms | (Z)-3-(1,3-benzodioxol-5-yl)-1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)-3-hydroxyprop-2-en-1-one;146713-95-3;2-Propen-1-one, 3-(1,3-benzodioxol-5-yl)-1-(5,7-dimethoxy-2,2-dimethyl-2H-1-bezopyran-6-yl)-3-hydroxy-, (Z)-; |
| PubChem Id | 6438794 |
| Class | Benzopyranoids |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | NQO1 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | CHMQLCYFVBURMW-GDNBJRDFSA-N |
| InChi | 1S/C23H22O7/c1-23(2)8-7-14-18(30-23)11-20(26-3)21(22(14)27-4)16(25)10-15(24)13-5-6-17-19(9-13)29-12-28-17/h5-11,24H,12H2,1-4H3/b15-10- |
| SMILES | O1C(C=Cc2c1cc(OC)c(c2OC)C(=O)/C=C(O)/c1cc2OCOc2cc1)(C)C |
|
SMART | [H]OC(=C([H])C(=O)C1=C(OC([H])([H])[H])C([H])=C2O[C@](C([H])=C([H])C2=C1OC([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C1=C([H])C2=C(OC([H])([H])O2)C([H])=C1[H] |
| CAS No. | 146713-95-3 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C077815 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, |
| 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 |