Compound | Mitrekaurenone |
NPACT-Id | NPACT01267 |
IUPAC | - |
Synonyms | - |
PubChem Id | 11381465 |
Class | Terpenoids |
In-vitro anticancer activity | 4 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | VCCKBMBRVGBEIV-UFUZVNNQSA-N |
InChi | 1S/C20H26O3/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3)15(18)14(16(20)21)23-17(19)22/h12-15H,1,4-10H2,2-3H3/t12-,13+,14-,15+,18+,19-,20+/m1/s1 |
SMILES | O1[C@@H]2[C@H]3[C@]([C@H]4[C@]5(C[C@@H](CC4)C(=C)C5)C2=O)(CCC[C@]3(C1=O)C)C |
SMART | [H]C([H])=C1/C([H])([H])[C@@]23C(=O)[C@]4([H])OC(=O)[C@]5(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@]45[H])[C@]2([H])C([H])([H])C([H])([H])[C@]1([H])C3([H])[H] |
CAS No. | - |
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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 |