Matairesinol
Representations & DB's id
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| ChEBI: | CHEBI:6698 | |
|---|---|---|
| ChEMBL: | CHEMBL425148 | |
| PubChem: | 119205 | |
| IUPAC: | (3R,4R)-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one | |
| Standard InChI: | InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1 | |
| Standard InChI Key: | MATGKVZWFZHCLI-LSDHHAIUSA-N | |
| SMILES: | COc1cc(ccc1O)C[C@H]1C(=O)OC[C@@H]1Cc1ccc(c(c1)OC)O | |
Molecular propeties
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| AlogP: | 2.69 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 3 | |
| Molecular Weight: | 358.14 | |
| Topological polar surface area: | 85.2 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.35 | |
| Number of carbons: | 20 | |