| Compound | Pelargonidin-3,5-diglucoside |
| NPACT-Id | NPACT00848 |
| IUPAC | (2S,3R,4R,5S,6R)-2-[7-hydroxy-2-(4-hydroxyphenyl)-3-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Synonyms | - |
| PubChem Id | 22524423 |
| 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 | SLCKJKWFULXZBD-HWBPJIILSA-O |
| InChi | 1S/C27H30O15/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31)/p+1/t17-,18+,19-,20+,21-,22+,23-,24+,26-,27+/m1/s1 |
| SMILES | O1[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1Oc1c2cc(O[C@H]3O[C@H]([C@H](O)[C@H](O)[C@@H]3O)CO)c([o+]c2cc(O)c1)c1ccc(O)cc1)CO |
|
SMART | OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(=C(O[C@H]4O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]4O)C=C23)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@@H]1O |
| CAS No. | 17334-58-6 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C082179 |
| 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 |