| Compound | Calyxins I |
| NPACT-Id | NPACT00384 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | 10327269 |
| Class | Flavonoid |
| In-vitro anticancer activity | 2 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | UJEBJUQQVRWYAG-SOFNOPICSA-N |
| InChi | 1S/C42H38O9/c1-49-36-23-35(48)37-33-22-32(20-6-24-2-12-28(43)13-3-24)50-40(26-8-16-30(45)17-9-26)38(33)41(27-10-18-31(46)19-11-27)51-42(37)39(36)34(47)21-7-25-4-14-29(44)15-5-25/h2-5,7-19,21,23,32-33,38,40-41,43-46,48H,6,20,22H2,1H3/b21-7+/t32-,33-,38-,40 |
| SMILES | O1[C@@H]([C@@H]2[C@@H](C[C@@H]1CCc1ccc(O)cc1)c1c(O[C@H]2c2ccc(O)cc2)c(c(OC)cc1O)C(=O)/C=C/c1ccc(O)cc1)c1ccc(O)cc1 |
|
SMART | [H]OC1=C([H])C([H])=C(C([H])=C(/[H])C(=O)C2=C3O[C@@]([H])(C4=C([H])C([H])=C(O[H])C([H])=C4[H])[C@]4([H])[C@]([H])(O[C@@]([H])(C([H])([H])C([H])([H])C5=C([H])C([H])=C(O[H])C([H])=C5[H])C([H])([H])[C@@]4([H])C3=C(O[H])C([H])=C2OC([H])([H])[H])C2=C([H])C([H])=C(O[H])C([H])=C2[H])C([H])=C1[H] |
| CAS No. | 252060-65-4 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C410688 |
| 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 |