Abyssinone Ii
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL558103 | |
| PubChem: | 7330517 | |
| IUPAC: | (2S)-7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one | |
| Standard InChI: | InChI=1S/C20H20O4/c1-12(2)3-4-13-9-14(5-8-17(13)22)19-11-18(23)16-7-6-15(21)10-20(16)24-19/h3,5-10,19,21-22H,4,11H2,1-2H3/t19-/m0/s1 | |
| Standard InChI Key: | NLTOTZSPOYWSSP-IBGZPJMESA-N | |
| SMILES: | CC(=CCc1cc(ccc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2)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 | |