Nepodin
Representations & DB's id
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| ChEBI: | CHEBI:7520 | |
|---|---|---|
| ChEMBL: | CHEMBL508681 | |
| PubChem: | 100780 | |
| IUPAC: | 1-(1,8-dihydroxy-3-methylnaphthalen-2-yl)ethanone | |
| Standard InChI: | InChI=1S/C13H12O3/c1-7-6-9-4-3-5-10(15)12(9)13(16)11(7)8(2)14/h3-6,15-16H,1-2H3 | |
| Standard InChI Key: | DMLHPCALHMPJHS-UHFFFAOYSA-N | |
| SMILES: | CC(=O)c1c(C)cc2c(c1O)c(O)ccc2 | |
Molecular propeties
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| AlogP: | 2.76 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 2 | |
| Molecular Weight: | 216.08 | |
| Topological polar surface area: | 57.5 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.154 | |
| Number of carbons: | 13 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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