| Compound | Calyxins J |
| NPACT-Id | NPACT00385 |
| IUPAC | 7-hydroxy-2-(4-hydroxyphenyl)-8-[(2S,6S)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]oxan-4-yl]-5-methoxy-2,3-dihydrochromen-4-one |
| Synonyms | - |
| PubChem Id | 42608060 |
| 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 | VIDHFKRYBXNWLN-YYDCKXNUSA-N |
| InChi | 1S/C42H38O9/c1-48-35-22-36-37(42-39(35)33(47)21-34(50-42)24-5-13-28(44)14-6-24)32-20-31(19-4-23-2-11-27(43)12-3-23)49-40(25-7-15-29(45)16-8-25)38(32)41(51-36)26-9-17-30(46)18-10-26/h2-3,5-18,22,31-32,34,38,40-41,43-46H,4,19-21H2,1H3/t31-,32?,34?,38?,40+,4 |
| SMILES | O1[C@@H]([C@H]2[C@@H](C[C@@H]1CCc1ccc(O)cc1)c1c(O[C@H]2c2ccc(O)cc2)cc(OC)c2c1O[C@@H](CC2=O)c1ccc(O)cc1)c1ccc(O)cc1 |
|
SMART | [H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])[C@]1([H])O[C@]([H])(C2=C([H])C([H])=C(O[H])C([H])=C2[H])[C@]2([H])[C@@]([H])(OC3=C([H])C(OC([H])([H])[H])=C4C(O[C@]([H])(C5=C([H])C([H])=C(O[H])C([H])=C5[H])C([H])([H])C4=O)=C3[C@]2([H])C1([H])[H])C1=C([H])C([H])=C(O[H])C([H])=C1[H] |
| CAS No. | - |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C545382 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | NA, |
| Drug-Likeliness Filters | Lipinski's rule of five | No |
| Ghose filter | No |
| Veber filter | Yes |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |