Compound | 2-methyl-3-hydroxy-4-pyrone |
NPACT-Id | NPACT00101 |
IUPAC | 3-hydroxy-2-methylpyran-4-one |
Synonyms | - |
PubChem Id | 8369 |
Class | Oxygen heterocycles |
In-vitro anticancer activity | 3 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | XPCTZQVDEJYUGT-UHFFFAOYSA-N |
InChi | 1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3 |
SMILES | o1c(c(O)c(=O)cc1)C |
SMART | [H]OC1=C(OC([H])=C([H])C1=O)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 | ABBLIS Chemicals, ABI Chem, AKos Consulting & Solutions, Amadis Chemical, Ambinter, ChemExper Chemical Directory, ChemFrog, Chemical Synthesis
Database, ChemMol, IS Chemical Technology, MolPort, MP Biomedicals, NIH Clinical Collection, Oakwood Products, R&D
Chemicals, Sigma-Aldrich, TCI (Tokyo Chemical Industry), Vitas-M Laboratory, ZINC, |
Drug-Likeliness Filters | Lipinski's rule of five | Yes |
Ghose filter | No |
Veber filter | Yes |
Muegge Filter | No |
Similarity Search | Human metabolite database | FDA approved drugs |