Compound | Taiwaniaquinol A |
NPACT-Id | NPACT01338 |
IUPAC | - |
Synonyms | - |
PubChem Id | 15276284 |
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 | WZYATGGRHPWBCT-VTOVKPRRSA-N |
InChi | 1S/C21H28O4/c1-11(2)13-16(23)14-12(9-22)19-20(3,4)7-6-8-21(19,5)15(14)18-17(13)24-10-25-18/h9,11-12,19,23H,6-8,10H2,1-5H3/t12-,19-,21+/m0/s1 |
SMILES | O1c2c3[C@@]4([C@H](C(CCC4)(C)C)[C@H](c3c(O)c(c2OC1)C(C)C)C=O)C |
SMART | [H]OC1=C(C2=C(OC([H])([H])O2)C2=C1[C@]([H])(C([H])=O)[C@]1([H])[C@]2(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]1(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([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 |