Compound | 6-hydroxy-3-methoxytremetone |
NPACT-Id | NPACT00188 |
IUPAC | 1-[(2S,3R)-6-hydroxy-3-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl]ethanone |
Synonyms | - |
PubChem Id | 15281118 |
Class | Benzofuranoids |
In-vitro anticancer activity | 3 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | PHYSEYYYFQMJGP-UONOGXRCSA-N |
InChi | 1S/C14H16O4/c1-7(2)13-14(17-4)10-5-9(8(3)15)11(16)6-12(10)18-13/h5-6,13-14,16H,1H2,2-4H3/t13-,14+/m0/s1 |
SMILES | O1[C@H]([C@H](OC)c2c1cc(O)c(c2)C(=O)C)C(=C)C |
SMART | [#6]O[C@H]1[C@@H](OC2=CC(O)=C(C=C12)C([#6])=O)C([#6])=C |
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 |