Glabrone
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL600457 | |
| PubChem: | 5317652 | |
| IUPAC: | 7-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one | |
| Standard InChI: | InChI=1S/C20H16O5/c1-20(2)8-7-14-16(25-20)6-5-12(18(14)22)15-10-24-17-9-11(21)3-4-13(17)19(15)23/h3-10,21-22H,1-2H3 | |
| Standard InChI Key: | COLMVFWKLOZOOP-UHFFFAOYSA-N | |
| SMILES: | Oc1ccc2c(c1)occ(c2=O)c1ccc2c(c1O)C=CC(O2)(C)C | |
Molecular propeties
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| AlogP: | 4.06 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 4 | |
| Molecular Weight: | 336.1 | |
| Topological polar surface area: | 76 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.15 | |
| Number of carbons: | 20 | |