| Compound | Panduratin A |
| NPACT-Id | NPACT00841 |
| IUPAC | (2,6-dihydroxy-4-methoxyphenyl)-[(1R,2S,6R)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone |
| Synonyms | - |
| PubChem Id | 6483648 |
| Class | Flavonoid |
| In-vitro anticancer activity | 2 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | MMP9 | NFKB1 | PLAU | All | |
| Properties | Physical Elemental Topological |
| InChi Key | LYDZCXVWCFJAKQ-ZFGGDYGUSA-N |
| InChi | 1S/C26H30O4/c1-16(2)10-12-20-17(3)11-13-21(18-8-6-5-7-9-18)24(20)26(29)25-22(27)14-19(30-4)15-23(25)28/h5-11,14-15,20-21,24,27-28H,12-13H2,1-4H3/t20-,21+,24-/m1/s1 |
| SMILES | O=C([C@@H]1[C@@H](C(=CC[C@H]1c1ccccc1)C)CC=C(C)C)c1c(O)cc(OC)cc1O |
|
SMART | [H]OC1=C([H])C(OC([H])([H])[H])=C([H])C(O[H])=C1C(=O)[C@]1([H])[C@@]([H])(C(=C([H])C([H])([H])[C@@]1([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H] |
| CAS No. | - |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C482884 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, |
| Drug-Likeliness Filters | Lipinski's rule of five | No |
| Ghose filter | No |
| Veber filter | Yes |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |