Desmethoxyyangonin
Representations & DB's id
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| ChEBI: | CHEBI:1995 | |
|---|---|---|
| ChEMBL: | CHEMBL254218 | |
| PubChem: | 5273621 | |
| IUPAC: | 4-methoxy-6-[(E)-2-phenylethenyl]pyran-2-one | |
| Standard InChI: | InChI=1S/C14H12O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+ | |
| Standard InChI Key: | DKKJNZYHGRUXBS-BQYQJAHWSA-N | |
| SMILES: | COc1cc(/C=C/c2ccccc2)oc(=O)c1 | |
Molecular propeties
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| AlogP: | 2.82 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 2 | |
| Molecular Weight: | 228.08 | |
| Topological polar surface area: | 35.5 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.071 | |
| Number of carbons: | 14 | |