Prunetin
Representations & DB's id
| ||
| ChEBI: | CHEBI:8600 | |
|---|---|---|
| ChEMBL: | CHEMBL491174 | |
| PubChem: | 5281804 | |
| IUPAC: | 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxychromen-4-one | |
| Standard InChI: | InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3 | |
| Standard InChI Key: | KQMVAGISDHMXJJ-UHFFFAOYSA-N | |
| SMILES: | COc1cc(O)c2c(c1)occ(c2=O)c1ccc(cc1)O | |
Molecular propeties
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| AlogP: | 2.88 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 284.07 | |
| Topological polar surface area: | 76 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.062 | |
| Number of carbons: | 16 | |