Magnosalin
Representations & DB's id
| ||
| ChEBI: | CHEBI:81363 | |
|---|---|---|
| ChEMBL: | CHEMBL156339 | |
| PubChem: | 10454589 | |
| IUPAC: | 1-[(1R,2R,3R,4R)-2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-2,4,5-trimethoxybenzene | |
| Standard InChI: | InChI=1S/C24H32O6/c1-13-14(2)24(16-10-20(28-6)22(30-8)12-18(16)26-4)23(13)15-9-19(27-5)21(29-7)11-17(15)25-3/h9-14,23-24H,1-8H3/t13-,14-,23+,24+/m1/s1 | |
| Standard InChI Key: | WCERJEZPIONOJU-LHEXPUQLSA-N | |
| SMILES: | COc1cc(OC)c(cc1[C@@H]1[C@H](C)[C@H]([C@H]1c1cc(OC)c(cc1OC)OC)C)OC | |
Molecular propeties
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| AlogP: | 4.89 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 8 | |
| Number of rings: | 3 | |
| Molecular Weight: | 416.22 | |
| Topological polar surface area: | 55.4 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.5 | |
| Number of carbons: | 24 | |