7-Hydroxycadalin
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL451475 | |
| PubChem: | 608115 | |
| IUPAC: | 3,8-dimethyl-5-propan-2-ylnaphthalen-2-ol | |
| Standard InChI: | InChI=1S/C15H18O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h5-9,16H,1-4H3 | |
| Standard InChI Key: | RIWNMJBJRPCUBX-UHFFFAOYSA-N | |
| SMILES: | Cc1cc2c(ccc(c2cc1O)C)C(C)C | |
Molecular propeties
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| AlogP: | 4.29 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 2 | |
| Molecular Weight: | 214.14 | |
| Topological polar surface area: | 20.2 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.333 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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