| Compound | Bruceantin |
| NPACT-Id | NPACT00344 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | 6434323 |
| Class | Terpenoids |
| In-vitro anticancer activity | 4 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | NFKB1 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | IRQXZTBHNKVIRL-XCDCPSHVSA-N |
| InChi | 1S/C28H36O11/c1-11(2)12(3)7-17(30)39-20-22-27-10-37-28(22,25(35)36-6)23(33)19(32)21(27)26(5)9-15(29)18(31)13(4)14(26)8-16(27)38-24(20)34/h7,11,14,16,19-23,31-33H,8-10H2,1-6H3/b12-7+/t14-,16+,19+,20+,21+,22+,23-,26-,27+,28+/m0/s1 |
| SMILES | O1[C@@]2([C@@H]3[C@@]4([C@H]([C@]5([C@@H](C[C@@H]4OC(=O)[C@H]3OC(=O)/C=C(/C(C)C)C)C(=C(O)C(=O)C5)C)C)[C@H](O)[C@@H]2O)C1)C(=O)OC |
|
SMART | [#6]OC(=O)[C@]12OC[C@]34[C@H](C[C@H]5C([#6])=C(O)C(=O)C[C@@]5([#6])[C@@H]3[C@H](O)[C@@H]1O)OC(=O)[C@@H](OC(=O)C=C(/[#6])[C@@H]([#6])[#6])[C@H]24 |
| CAS No. | 41451-75-6 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | 041451756 |
| CTD | C002550 |
| HIT | - |
| NCI-60 GI50 data | 41451-75-6 |
| Suppliers | NA, |
| Drug-Likeliness Filters | Lipinski's rule of five | No |
| Ghose filter | No |
| Veber filter | No |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |