3-Hydroxyglabrol
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL463947 | |
| PubChem: | 480854 | |
| IUPAC: | (2R,3R)-3,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one | |
| Standard InChI: | InChI=1S/C25H28O5/c1-14(2)5-7-16-13-17(8-11-20(16)26)24-23(29)22(28)19-10-12-21(27)18(25(19)30-24)9-6-15(3)4/h5-6,8,10-13,23-24,26-27,29H,7,9H2,1-4H3/t23-,24+/m0/s1 | |
| Standard InChI Key: | LAQLCZKPJGMFRM-BJKOFHAPSA-N | |
| SMILES: | CC(=CCc1cc(ccc1O)[C@H]1Oc2c(C(=O)[C@@H]1O)ccc(c2CC=C(C)C)O)C | |
Molecular propeties
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| AlogP: | 4.79 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 3 | |
| Molecular Weight: | 408.19 | |
| Topological polar surface area: | 87 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.32 | |
| Number of carbons: | 25 | |