Munduleaflavanone B
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL521792 | |
| PubChem: | 42608071 | |
| IUPAC: | (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one | |
| Standard InChI: | InChI=1S/C21H22O5/c1-12(2)4-9-15-19(25-3)11-17(24)20-16(23)10-18(26-21(15)20)13-5-7-14(22)8-6-13/h4-8,11,18,22,24H,9-10H2,1-3H3/t18-/m0/s1 | |
| Standard InChI Key: | OWTSKJPRWFIYHU-SFHVURJKSA-N | |
| SMILES: | COc1cc(O)c2c(c1CC=C(C)C)O[C@@H](CC2=O)c1ccc(cc1)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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