| Compound | Tiliroside |
| NPACT-Id | NPACT00977 |
| IUPAC | [(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| Synonyms | - |
| PubChem Id | 5320686 |
| Class | Flavonoid |
| In-vitro anticancer activity | 4 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | TOP2A | All | |
| Properties | Physical Elemental Topological |
| InChi Key | DVGGLGXQSFURLP-VWMSDXGPSA-N |
| InChi | 1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+/t21-,24-,26+,27-,30+/m1/s1 |
| SMILES | O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1Oc1c(oc2c(c1=O)c(O)cc(O)c2)c1ccc(O)cc1)COC(=O)/C=C/c1ccc(O)cc1 |
|
SMART | [H]OC1=C([H])C([H])=C(C([H])=C(/[H])C(=O)OC([H])([H])[C@@]2([H])O[C@@]([H])(OC3=C(OC4=C([H])C(O[H])=C([H])C(O[H])=C4C3=O)C3=C([H])C([H])=C(O[H])C([H])=C3[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])C([H])=C1[H] |
| CAS No. | 20316-62-5 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C052083 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, Amadis Chemical, Ambinter, IS Chemical Technology, R&D Chemicals, Therapeutic Targets Database, |
| 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 |