Dihydrocubebin
Representations & DB's id
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| ChEBI: | CHEBI:543841 | |
|---|---|---|
| ChEMBL: | CHEMBL486597 | |
| PubChem: | 193042 | |
| IUPAC: | (2R,3R)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol | |
| Standard InChI: | InChI=1S/C20H22O6/c21-9-15(5-13-1-3-17-19(7-13)25-11-23-17)16(10-22)6-14-2-4-18-20(8-14)26-12-24-18/h1-4,7-8,15-16,21-22H,5-6,9-12H2/t15-,16-/m0/s1 | |
| Standard InChI Key: | JKCVMTYNARDGET-HOTGVXAUSA-N | |
| SMILES: | OC[C@@H]([C@@H](Cc1ccc2c(c1)OCO2)CO)Cc1ccc2c(c1)OCO2 | |
Molecular propeties
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| AlogP: | 2.15 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 7 | |
| Number of rings: | 4 | |
| Molecular Weight: | 358.14 | |
| Topological polar surface area: | 77.4 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.4 | |
| Number of carbons: | 20 | |