Gancaonin I
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3808735 | |
| PubChem: | 480777 | |
| IUPAC: | 4-[4,6-dimethoxy-5-(3-methylbut-2-enyl)-1-benzofuran-2-yl]benzene-1,3-diol | |
| Standard InChI: | InChI=1S/C21H22O5/c1-12(2)5-7-15-18(24-3)11-20-16(21(15)25-4)10-19(26-20)14-8-6-13(22)9-17(14)23/h5-6,8-11,22-23H,7H2,1-4H3 | |
| Standard InChI Key: | DKVBYQAVNNRVNN-UHFFFAOYSA-N | |
| SMILES: | COc1c(CC=C(C)C)c(OC)cc2c1cc(o2)c1ccc(cc1O)O | |
Molecular propeties
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| AlogP: | 5.04 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 3 | |
| Molecular Weight: | 354.15 | |
| Topological polar surface area: | 72.1 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.238 | |
| Number of carbons: | 21 | |