| Compound | rocagloic acid |
| NPACT-Id | NPACT01500 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | - |
| Class | Lignans |
| In-vitro anticancer activity | 5 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | ZXOGYLJOWVWJHM-CDBNQHORSA-N |
| InChi | 1S/C28H28O7/c1-33-19-11-9-18(10-12-19)27-15-17-13-20(34-2)14-21(35-3)23(17)28(27,32)25(29)22(26(30)31)24(27)16-7-5-4-6-8-16/h4-14,22,24-25,29,32H,15H2,1-3H3,(H,30,31)/t22-,24-,25-,27-,28+/m1/s1 |
| SMILES | c1(cc(cc2c1[C@]1([C@@](C2)([C@@H]([C@H]([C@H]1O)C(=O)O)c1ccccc1)c1ccc(cc1)OC)O)OC)OC |
|
SMART | [#6]OC1=CC=C(C=C1)[C@@]12CC3=CC(O[#6])=CC(O[#6])=C3[C@]1(O)[C@H](O)[C@@H]([C@H]2C1=CC=CC=C1)C(O)=O |
| 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 | Yes |
| Ghose filter | Yes |
| Veber filter | Yes |
| Muegge Filter | Yes |
| Similarity Search | Human metabolite database | FDA approved drugs |