Morachalcone A
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL465880 | |
| PubChem: | 9862769 | |
| IUPAC: | (E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one | |
| Standard InChI: | InChI=1S/C20H20O5/c1-12(2)3-7-15-18(23)10-8-16(20(15)25)17(22)9-5-13-4-6-14(21)11-19(13)24/h3-6,8-11,21,23-25H,7H2,1-2H3/b9-5+ | |
| Standard InChI Key: | NXBYIJSAISXPKJ-WEVVVXLNSA-N | |
| SMILES: | CC(=CCc1c(O)ccc(c1O)C(=O)/C=C/c1ccc(cc1O)O)C | |
Molecular propeties
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| AlogP: | 3.91 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 2 | |
| Molecular Weight: | 340.13 | |
| Topological polar surface area: | 98 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.15 | |
| Number of carbons: | 20 | |