| Compound | alpha-Toxicarol |
| NPACT-Id | NPACT01126 |
| IUPAC | - |
| Synonyms | alpha-Toxicarol; |
| PubChem Id | 442826 |
| Class | Flavonoid |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | JLTNCZQNGBLBGO-MOPGFXCFSA-N |
| InChi | 1S/C23H22O7/c1-23(2)6-5-11-15(30-23)8-13(24)20-21(25)19-12-7-16(26-3)17(27-4)9-14(12)28-10-18(19)29-22(11)20/h5-9,18-19,24H,10H2,1-4H3/t18-,19+/m1/s1 |
| SMILES | O1[C@H]2[C@H](c3c(OC2)cc(OC)c(OC)c3)C(=O)c2c1c1c(OC(C=C1)(C)C)cc2O |
|
SMART | [H]OC1=C([H])C2=C(C([H])=C([H])[C@](O2)(C([H])([H])[H])C([H])([H])[H])C2=C1C(=O)[C@@]1([H])C3=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C3OC([H])([H])[C@@]1([H])O2 |
| CAS No. | 82-09-7 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C501190 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, 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 |