(-)-Yatein
Representations & DB's id
| ||
| ChEBI: | CHEBI:4553 | |
|---|---|---|
| ChEMBL: | CHEMBL471067 | |
| PubChem: | 442835 | |
| IUPAC: | (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one | |
| Standard InChI: | InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1 | |
| Standard InChI Key: | GMLDZDDTZKXJLU-JKSUJKDBSA-N | |
| SMILES: | COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(c1OC)OC | |
Molecular propeties
| ||
| AlogP: | 3.02 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 7 | |
| Number of rings: | 4 | |
| Molecular Weight: | 400.15 | |
| Topological polar surface area: | 72.4 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.409 | |
| Number of carbons: | 22 | |