| Compound | Casearborin E |
| NPACT-Id | NPACT00403 |
| IUPAC | (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
| Synonyms | - |
| PubChem Id | 6367399 |
| Class | Terpenoids |
| In-vitro anticancer activity | 2 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | NVVFTAMNEDAOEH-QGOAFFKASA-N |
| InChi | 1S/C33H40O10/c1-8-18(2)13-14-32(7)19(3)15-28(42-29(38)23-9-11-24(37)12-10-23)33-26(16-25(17-27(32)33)39-20(4)34)30(40-21(5)35)43-31(33)41-22(6)36/h8-13,16,19,25,27-28,30-31,37H,1,14-15,17H2,2-7H3/b18-13+ |
| SMILES | O1[C@@H](OC(=O)C)[C@]23[C@@H]([C@@]([C@H](C[C@H]2OC(=O)c2ccc(O)cc2)C)(C/C=C(C)/C=C)C)C[C@@H](OC(=O)C)C=C3[C@@H]1OC(=O)C |
|
SMART | [#6][C@H]1C[C@@H](OC(=O)C2=CC=C(O)C=C2)[C@@]23[C@H](OC([#6])=O)O[C@@H](OC([#6])=O)C2=C[C@@H](C[C@@H]3[C@]1([#6])CC=C(/[#6])C=C)OC([#6])=O |
| CAS No. | - |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | - |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, |
| Drug-Likeliness Filters | Lipinski's rule of five | No |
| Ghose filter | No |
| Veber filter | No |
| Muegge Filter | Yes |
| Similarity Search | Human metabolite database | FDA approved drugs |