Torachrysone
Representations & DB's id
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| ChEBI: | CHEBI:81265 | |
|---|---|---|
| ChEMBL: | CHEMBL2204398 | |
| PubChem: | 5321977 | |
| IUPAC: | 1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethanone | |
| Standard InChI: | InChI=1S/C14H14O4/c1-7-4-9-5-10(18-3)6-11(16)13(9)14(17)12(7)8(2)15/h4-6,16-17H,1-3H3 | |
| Standard InChI Key: | BIJOPUWEMBBDEG-UHFFFAOYSA-N | |
| SMILES: | COc1cc(O)c2c(c1)cc(c(c2O)C(=O)C)C | |
Molecular propeties
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| AlogP: | 2.77 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 2 | |
| Molecular Weight: | 246.09 | |
| Topological polar surface area: | 66.8 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.214 | |
| Number of carbons: | 14 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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