Arctigenin
Representations & DB's id
| ||
| ChEBI: | CHEBI:79 | |
|---|---|---|
| ChEMBL: | CHEMBL435734 | |
| PubChem: | 64981 | |
| IUPAC: | (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one | |
| Standard InChI: | InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1 | |
| Standard InChI Key: | NQWVSMVXKMHKTF-JKSUJKDBSA-N | |
| SMILES: | COc1cc(ccc1OC)C[C@H]1COC(=O)[C@@H]1Cc1ccc(c(c1)OC)O | |
Molecular propeties
| ||
| AlogP: | 2.99 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 7 | |
| Number of rings: | 3 | |
| Molecular Weight: | 372.16 | |
| Topological polar surface area: | 74.2 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.381 | |
| Number of carbons: | 21 | |