Uralenol
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL113833 | |
| PubChem: | 5315126 | |
| IUPAC: | 2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-3,5,7-trihydroxychromen-4-one | |
| Standard InChI: | InChI=1S/C20H18O7/c1-9(2)3-4-10-5-11(6-14(23)17(10)24)20-19(26)18(25)16-13(22)7-12(21)8-15(16)27-20/h3,5-8,21-24,26H,4H2,1-2H3 | |
| Standard InChI Key: | WOMWVGHYSNATOB-UHFFFAOYSA-N | |
| SMILES: | CC(=CCc1cc(cc(c1O)O)c1oc2cc(O)cc(c2c(=O)c1O)O)C | |
Molecular propeties
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| AlogP: | 3.5 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 3 | |
| Molecular Weight: | 370.11 | |
| Topological polar surface area: | 127 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.15 | |
| Number of carbons: | 20 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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