| Compound | 3,5,7,3',4'-pentahydroxyflavonol-3-O-beta-D-glucopyranoside |
| NPACT-Id | NPACT00108 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | - |
| Class | Flavonoid |
| In-vitro anticancer activity | 2 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | BAVDWMPKCQIURP-RQMTUJCISA-N |
| InChi | 1S/C22H22O12/c23-6-15-18(29)19(30)20(31)22(34-15)32-7-10-17(28)16-13(27)4-9(24)5-14(16)33-21(10)8-1-2-11(25)12(26)3-8/h1-5,15,18-20,22-27,29-31H,6-7H2/t15-,18-,19+,20-,22-/m0/s1 |
| SMILES | c1c(cc(c2c1oc(c(c2=O)CO[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)CO)c1cc(c(cc1)O)O)O)O |
|
SMART | [H][C@]1(OCC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C(O)=C2)O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O |
| CAS No. | - |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | - |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | NA, |
| Drug-Likeliness Filters | Lipinski's rule of five | No |
| Ghose filter | No |
| Veber filter | No |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |