Robinetin
Representations & DB's id
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| ChEBI: | CHEBI:8876 | |
|---|---|---|
| ChEMBL: | CHEMBL170405 | |
| PubChem: | 5281692 | |
| IUPAC: | 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one | |
| Standard InChI: | InChI=1S/C15H10O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,16-18,20-21H | |
| Standard InChI Key: | SOEDEYVDCDYMMH-UHFFFAOYSA-N | |
| SMILES: | Oc1ccc2c(c1)oc(c(c2=O)O)c1cc(O)c(c(c1)O)O | |
Molecular propeties
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| AlogP: | 1.99 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 302.04 | |
| Topological polar surface area: | 127 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0 | |
| Number of carbons: | 15 | |