| Compound | Anthocyanin 1 |
| NPACT-Id | NPACT00268 |
| IUPAC | - |
| Synonyms | Anemone blue anthocyanin 1 |
| PubChem Id | 11979368 |
| Class | Flavonoid |
| In-vitro anticancer activity | 5 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | DMJFLJSLHRVCBA-YGQRQUBESA-O |
| InChi | 1S/C57H60O34/c58-16-33-40(70)45(75)52(91-57-51(44(74)39(69)34(17-59)87-57)89-37(67)8-4-20-2-6-25(61)28(64)10-20)56(86-33)85-32-15-23-26(62)13-22(82-54-47(77)42(72)41(71)35(88-54)18-81-36(66)7-3-19-1-5-24(60)27(63)9-19)14-30(23)83-49(32)21-11-29(65)38(68)3 |
| SMILES | O([C@@H]1[C@@H](O)[C@@H](O)[C@H](O[C@H]1Oc1c([o+]c2c(c1)c(O)cc(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)COC(=O)/C=C/c1cc(O)c(O)cc1)c2)c1cc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)c(O)c(O)c1)CO)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1OC(=O)/C=C/c1cc(O)c(O)cc1)CO |
|
SMART | [H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C([H])C(=C([H])C(O[H])=C2O[H])C2=[O+]C3=C([H])C(O[C@]4([H])O[C@]([H])(C([H])([H])OC(=O)C([H])=C(/[H])C5=C([H])C(O[H])=C(O[H])C([H])=C5[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])=C([H])C(O[H])=C3C([H])=C2O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])OC(=O)C([H])=C(/[H])C2=C([H])C(O[H])=C(O[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H] |
| 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 |