4'-O-Methyl-8-Prenylnaringenin
Representations & DB's id
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| ChEBI: | CHEBI:70021 | |
|---|---|---|
| ChEMBL: | CHEMBL556429 | |
| PubChem: | 45272659 | |
| IUPAC: | (2S)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one | |
| Standard InChI: | InChI=1S/C21H22O5/c1-12(2)4-9-15-16(22)10-17(23)20-18(24)11-19(26-21(15)20)13-5-7-14(25-3)8-6-13/h4-8,10,19,22-23H,9,11H2,1-3H3/t19-/m0/s1 | |
| Standard InChI Key: | CTFJUDTWKJHYNX-IBGZPJMESA-N | |
| SMILES: | COc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)c(CC=C(C)C)c(cc2O)O | |
Molecular propeties
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| AlogP: | 4.32 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 4 | |
| 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 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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