(-)-Evofolin B
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL602133 | |
| PubChem: | 46229015 | |
| IUPAC: | (2S)-3-hydroxy-1,2-bis(4-hydroxy-3-methoxyphenyl)propan-1-one | |
| Standard InChI: | InChI=1S/C17H18O6/c1-22-15-7-10(3-5-13(15)19)12(9-18)17(21)11-4-6-14(20)16(8-11)23-2/h3-8,12,18-20H,9H2,1-2H3/t12-/m1/s1 | |
| Standard InChI Key: | QMYGRGKKZBRZKH-GFCCVEGCSA-N | |
| SMILES: | OC[C@@H](C(=O)c1ccc(c(c1)OC)O)c1ccc(c(c1)OC)O | |
Molecular propeties
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| AlogP: | 2.07 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 2 | |
| Molecular Weight: | 318.11 | |
| Topological polar surface area: | 96.2 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.235 | |
| Number of carbons: | 17 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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