(-)-Cubebininolide
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL479314 | |
| PubChem: | 13916150 | |
| IUPAC: | (3R,4R)-3,4-bis[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one | |
| Standard InChI: | InChI=1S/C24H30O8/c1-26-18-9-14(10-19(27-2)22(18)30-5)7-16-13-32-24(25)17(16)8-15-11-20(28-3)23(31-6)21(12-15)29-4/h9-12,16-17H,7-8,13H2,1-6H3/t16-,17+/m0/s1 | |
| Standard InChI Key: | VUNCHONBJWJYID-DLBZAZTESA-N | |
| SMILES: | COc1c(OC)cc(cc1OC)C[C@H]1C(=O)OC[C@@H]1Cc1cc(OC)c(c(c1)OC)OC | |
Molecular propeties
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| AlogP: | 3.31 | |
|---|---|---|
| Hydrogen bonds acceptors: | 8 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 10 | |
| Number of rings: | 3 | |
| Molecular Weight: | 446.19 | |
| Topological polar surface area: | 81.7 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.458 | |
| Number of carbons: | 24 | |