Glabranin
Representations & DB's id
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| ChEBI: | CHEBI:5368 | |
|---|---|---|
| ChEMBL: | CHEMBL253998 | |
| PubChem: | 124049 | |
| IUPAC: | (2S)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one | |
| Standard InChI: | InChI=1S/C20H20O4/c1-12(2)8-9-14-15(21)10-16(22)19-17(23)11-18(24-20(14)19)13-6-4-3-5-7-13/h3-8,10,18,21-22H,9,11H2,1-2H3/t18-/m0/s1 | |
| Standard InChI Key: | DAWSYIQAGQMLFS-SFHVURJKSA-N | |
| SMILES: | CC(=CCc1c(O)cc(c2c1O[C@@H](CC2=O)c1ccccc1)O)C | |
Molecular propeties
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| AlogP: | 4.31 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 3 | |
| Molecular Weight: | 324.14 | |
| Topological polar surface area: | 66.8 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.25 | |
| Number of carbons: | 20 | |