| Compound | Arnidiol |
| NPACT-Id | NPACT00278 |
| IUPAC | 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,6,8-tris(3-methylbut-2-enyl)chromen-4-one |
| Synonyms | (3S,4aR,6aR,6bR,8S,8aS,12S,12aS,12bR,14bR)-4,4,6a,6b,8a,12,14b-Heptamethyl-11-methylene-docosahydro-picene-3,8-diol |
| PubChem Id | 470259 |
| Class | Terpenoids |
| In-vitro anticancer activity | 54 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | IOPDFSGGBHSXSV-MIISSIQISA-N |
| InChi | 1S/C30H50O2/c1-18-11-14-28(6)24(32)17-30(8)20(25(28)19(18)2)9-10-22-27(5)15-13-23(31)26(3,4)21(27)12-16-29(22,30)7/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20-,21+,22?,23+,24+,25+,27+,28-,29-,30-/m1/s1 |
| SMILES | O[C@@H]1[C@@]2([C@H]([C@@H]3[C@]([C@]4([C@@H]([C@@]5([C@@H](CC4)C([C@@H](O)CC5)(C)C)C)CC3)C)(C1)C)[C@@H](C(=C)CC2)C)C |
|
SMART | [H]O[C@@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@@]([H])(C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@]2([H])C([H])([H])C([H])([H])[C@]2([H])[C@]4([H])[C@@]([H])(C(=C(/[H])[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])[C@@]32C([H])([H])[H])C([H])([H])[H])[C@]1(C([H])([H])[H])C([H])([H])[H] |
| CAS No. | 6750-30-7 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | - |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | AAA Chemistry, ABI Chem, Kingston Chemistry, |
| 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 |