Compound | Taiwaniaquinone E |
NPACT-Id | NPACT01529 |
IUPAC | methyl(4aS,9R,9aS)-8-hydroxy-1,1,4a-trimethyl-5,6-dioxo-7-propan-2-yl-3,4,9,9a-tetrahydro-2H-fluorene-9-carboxylate |
Synonyms | - |
PubChem Id | 46881290 |
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 | RNEHPGKHMXYLIX-LTBCBRHQSA-N |
InChi | 1S/C21H28O5/c1-10(2)11-15(22)12-13(19(25)26-6)18-20(3,4)8-7-9-21(18,5)14(12)17(24)16(11)23/h10,13,18,22H,7-9H2,1-6H3/t13-,18-,21+/m0/s1 |
SMILES | O(C(=O)[C@@H]1[C@@H]2[C@](CCCC2(C)C)(C2=C1C(=C(C(=O)C2=O)C(C)C)O)C)C |
SMART | [#6]OC(=O)[C@@H]1[C@@H]2[C@]([#6])(CCCC2([#6])[#6])C2=C1C(O)=C(C([#6])[#6])C(=O)C2=O |
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 |