7-O-Methylluteone
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3809337 | |
| PubChem: | 441251 | |
| IUPAC: | 3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-(3-methylbut-2-enyl)chromen-4-one | |
| Standard InChI: | InChI=1S/C21H20O6/c1-11(2)4-6-14-17(26-3)9-18-19(20(14)24)21(25)15(10-27-18)13-7-5-12(22)8-16(13)23/h4-5,7-10,22-24H,6H2,1-3H3 | |
| Standard InChI Key: | AZPLXDBZIQMMMT-UHFFFAOYSA-N | |
| SMILES: | COc1cc2occ(c(=O)c2c(c1CC=C(C)C)O)c1ccc(cc1O)O | |
Molecular propeties
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| AlogP: | 4.09 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 3 | |
| Molecular Weight: | 368.13 | |
| Topological polar surface area: | 96.2 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.19 | |
| Number of carbons: | 21 | |