Licoagrochalcone D
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL2437371 | |
| PubChem: | 5318991 | |
| IUPAC: | (E)-1-(4-hydroxyphenyl)-3-[2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-en-1-one | |
| Standard InChI: | InChI=1S/C21H22O5/c1-21(2,24)19-12-16-18(26-19)11-7-14(20(16)25-3)6-10-17(23)13-4-8-15(22)9-5-13/h4-11,19,22,24H,12H2,1-3H3/b10-6+ | |
| Standard InChI Key: | FMKHMNBODOXQLQ-UXBLZVDNSA-N | |
| SMILES: | COc1c(/C=C/C(=O)c2ccc(cc2)O)ccc2c1CC(O2)C(O)(C)C | |
Molecular propeties
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| AlogP: | 3.37 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 3 | |
| Molecular Weight: | 354.15 | |
| Topological polar surface area: | 76 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.286 | |
| Number of carbons: | 21 | |