| Compound | longikaurin B |
| NPACT-Id | NPACT00312 |
| IUPAC | - |
| Synonyms | [5,6,14-Trihydroxy-4-methyl-8-methylene-7-oxododecahydro-1H-6,11b-(epoxymethano)-6a,9-ethanocyclohepta[a]naphthalen-4-yl]methyl acetate |
| PubChem Id | 457901 |
| Class | Terpenoids |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | JMCGQPHJXFUMBU-UHFFFAOYSA-N |
| InChi | 1S/C22H30O7/c1-11-13-5-6-14-20-8-4-7-19(3,9-28-12(2)23)15(20)18(26)22(27,29-10-20)21(14,16(11)24)17(13)25/h13-15,17-18,25-27H,1,4-10H2,2-3H3 |
| SMILES | O1C2(O)C34C(C5(C(C2O)C(CCC5)(COC(=O)C)C)C1)CCC(C3O)C(=C)C4=O |
|
SMART | [#6]C(=O)OCC1([#6])CCCC23COC(O)(C(O)C12)C12C(O)C(CCC31)C(=C)C2=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 | Yes |
| Ghose filter | Yes |
| Veber filter | Yes |
| Muegge Filter | Yes |
| Similarity Search | Human metabolite database | FDA approved drugs |