4'-Methoxyglabridin
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL511536 | |
| PubChem: | 9927807 | |
| IUPAC: | 2-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]-5-methoxyphenol | |
| Standard InChI: | InChI=1S/C21H22O4/c1-21(2)9-8-17-19(25-21)7-4-13-10-14(12-24-20(13)17)16-6-5-15(23-3)11-18(16)22/h4-9,11,14,22H,10,12H2,1-3H3/t14-/m0/s1 | |
| Standard InChI Key: | ZZAIPFIGEGQNHP-AWEZNQCLSA-N | |
| SMILES: | COc1ccc(c(c1)O)[C@@H]1COc2c(C1)ccc1c2C=CC(O1)(C)C | |
Molecular propeties
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| AlogP: | 4.3 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 4 | |
| Molecular Weight: | 338.15 | |
| Topological polar surface area: | 47.9 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.333 | |
| Number of carbons: | 21 | |