| Compound | Agladupol A |
| NPACT-Id | NPACT00223 |
| IUPAC | methyl(1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate |
| Synonyms | - |
| PubChem Id | - |
| Class | Terpenoids |
| In-vitro anticancer activity | 3 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | SBQFQOLBZXKZRP-KXOMPGEJSA-N |
| InChi | 1S/C31H52O6/c1-27(2)22-16-24(33)31(7)20-10-9-18(17-15-19(37-26(17)36-8)25(34)28(3,4)35)29(20,5)13-11-21(31)30(22,6)14-12-23(27)32/h10,17-19,21-26,32-35H,9,11-16H2,1-8H3/t17-,18-,19+,21+,22-,23-,24-,25+,26+,29+,30+,31-/m0/s1 |
| SMILES | C1C[C@@H](C([C@H]2[C@]1([C@@H]1[C@@]([C@H](C2)O)(C2=CC[C@H]([C@]2(CC1)C)[C@H]1[C@@H](O[C@H](C1)[C@H](C(C)(C)O)O)OC)C)C)(C)C)O |
|
SMART | [#6]O[C@@H]1O[C@H](C[C@H]1[C@@H]1CC=C2[C@]1([#6])CC[C@@H]1[C@@]3([#6])CC[C@H](O)[C@@]([#6])([#6])[C@@H]3C[C@H](O)[C@@]21[#6])[C@@H](O)[C@]([#6])([#6])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 | No |
| Ghose filter | No |
| Veber filter | Yes |
| Muegge Filter | Yes |
| Similarity Search | Human metabolite database | FDA approved drugs |