(2S)-Abyssinone Ii
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL457680 | |
| PubChem: | 14218027 | |
| IUPAC: | 5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one | |
| Standard InChI: | InChI=1S/C20H20O5/c1-11(2)3-4-12-7-13(5-6-15(12)22)18-10-17(24)20-16(23)8-14(21)9-19(20)25-18/h3,5-9,18,21-23H,4,10H2,1-2H3 | |
| Standard InChI Key: | CGKWSLSAYABZTL-UHFFFAOYSA-N | |
| SMILES: | CC(=CCc1cc(ccc1O)C1CC(=O)c2c(O1)cc(cc2O)O)C | |
Molecular propeties
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| AlogP: | 4.02 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 3 | |
| Molecular Weight: | 340.13 | |
| Topological polar surface area: | 87 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.25 | |
| Number of carbons: | 20 | |