| Compound | Reissantins E |
| NPACT-Id | NPACT00900 |
| IUPAC | (1S,2S,5S,6S,7R,8S,9S,12R)-5,8-Diacetoxy-2,12-dihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodec-7-yl benzoate |
| Synonyms | (3S,4S,5R,5aS,6S,9S,9aS,10R)-4,6-bis(acetyloxy)-9,10-dihydroxy-2,2,5a,9-tetramethyloctahydro-2H-3,9a-methano-1-benzoxepin-5-yl benzoate;2H-3,9a-methano-1-benzoxepin-4,5,6,9,10-pentol, octahydro-2,2,5a,9-tetramethyl-, 4,6-diacetate 5-benzoate,(3S,4S,5R,5aS,6S,9S,9aS,10R)- |
| PubChem Id | 10323282 |
| Class | Terpenoids |
| In-vitro anticancer activity | 8 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | VDMRSWTYKXKIDN-SWHFUDTGSA-N |
| InChi | 1S/C26H34O9/c1-14(27)32-17-12-13-24(5,31)26-20(29)18(23(3,4)35-26)19(33-15(2)28)21(25(17,26)6)34-22(30)16-10-8-7-9-11-16/h7-11,17-21,29,31H,12-13H2,1-6H3/t17-,18+,19-,20+,21-,24-,25-,26-/m0/s1 |
| SMILES | O1[C@@]23[C@]([C@@H](OC(=O)c4ccccc4)[C@@H](OC(=O)C)[C@H]([C@H]2O)C1(C)C)([C@@H](OC(=O)C)CC[C@@]3(O)C)C |
|
SMART | [#6]C(=O)O[C@H]1CC[C@]([#6])(O)[C@@]23O[C@@]([#6])([#6])[C@@H]([C@H]2O)[C@H](OC([#6])=O)[C@H](OC(=O)C2=CC=CC=C2)[C@]13[#6] |
| 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 | No |
| Veber filter | Yes |
| Muegge Filter | Yes |
| Similarity Search | Human metabolite database | FDA approved drugs |