| Compound | 4-alpha,10-alpha-dihydroxy-3-oxo-8-beta-isobutyryloxyguaia-11(13)-en-12,6-alpha-olide |
| NPACT-Id | NPACT00150 |
| IUPAC | [(3aR,4R,6R,6aR,9R,9aS,9bS)-6,9-dihydroxy-6,9-dimethyl-3-methylidene-2,8-dioxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl]2-methylpropanoate |
| Synonyms | 4'-bromoflavone ;4'-Bromo-flavone ;2-(4-Bromophenyl)-4H-1-benzopyran-4-one |
| PubChem Id | 11474040 |
| 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 | DKHQGANNIBTMQA-ISIXXXIXSA-N |
| InChi | 1S/C19H26O7/c1-8(2)16(21)25-11-7-18(4,23)10-6-12(20)19(5,24)14(10)15-13(11)9(3)17(22)26-15/h8,10-11,13-15,23-24H,3,6-7H2,1-2,4-5H3/t10-,11-,13-,14+,15+,18-,19+/m1/s1 |
| SMILES | O1[C@@H]2[C@@H]3[C@H]([C@](O)(C[C@@H](OC(=O)C(C)C)[C@H]2C(=C)C1=O)C)CC(=O)[C@@]3(O)C |
|
SMART | [#6][C@H]([#6])C(=O)O[C@@H]1C[C@@]([#6])(O)[C@@H]2CC(=O)[C@]([#6])(O)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 |
| 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 |