| Compound | Acteoside |
| NPACT-Id | NPACT00212 |
| IUPAC | [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl](E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| Synonyms | Acteoside;Verbascoside;Kusaginin;Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-, 4-(3-(3,4-dihydroxyphenyl)-2-propenoate),(E)-beta-D- |
| PubChem Id | 5281800 |
| Class | Unknown |
| In-vitro anticancer activity | 6 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | CDK2 | CDK4 | CDKN1A | CDKN1B | All | |
| Properties | Physical Elemental Topological |
| InChi Key | FBSKJMQYURKNSU-ZLSOWSIRSA-N |
| InChi | 1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1 |
| SMILES | O([C@H]1[C@H](OC(=O)/C=C/c2cc(O)c(O)cc2)[C@H](O[C@@H](OCCc2cc(O)c(O)cc2)[C@@H]1O)CO)[C@@H]1O[C@H]([C@H](O)[C@@H](O)[C@H]1O)C |
|
SMART | [H]OC1=C(O[H])C([H])=C(C([H])=C(/[H])C(=O)O[C@@]2([H])[C@]([H])(O[C@]3([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]3([H])O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])C([H])([H])C3=C([H])C(O[H])=C(O[H])C([H])=C3[H])O[C@]2([H])C([H])([H])O[H])C([H])=C1[H] |
| CAS No. | 61276-17-3 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C058956 |
| HIT | C0319 |
| NCI-60 GI50 data | 61276-17-3 |
| Suppliers | ABI Chem, Ambinter, IS Chemical Technology, R&D Chemicals, |
| 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 |