Vestitol
Representations & DB's id
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| ChEBI: | CHEBI:80392 | |
|---|---|---|
| ChEMBL: | CHEMBL479145 | |
| PubChem: | 182259 | |
| IUPAC: | (3R)-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol | |
| Standard InChI: | InChI=1S/C16H16O4/c1-19-13-4-5-14(15(18)8-13)11-6-10-2-3-12(17)7-16(10)20-9-11/h2-5,7-8,11,17-18H,6,9H2,1H3/t11-/m0/s1 | |
| Standard InChI Key: | XRVFNNUXNVWYTI-NSHDSACASA-N | |
| SMILES: | COc1ccc(c(c1)O)[C@@H]1COc2c(C1)ccc(c2)O | |
Molecular propeties
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| AlogP: | 2.83 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 272.1 | |
| Topological polar surface area: | 58.9 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.25 | |
| Number of carbons: | 16 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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