Calamusin H
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL2063124 | |
| PubChem: | 60156150 | |
| IUPAC: | (1S,2R,4R)-2,5-dimethyl-8-propan-2-yl-3,4-dihydro-1H-naphthalene-1,2,4-triol | |
| Standard InChI: | InChI=1S/C15H22O3/c1-8(2)10-6-5-9(3)12-11(16)7-15(4,18)14(17)13(10)12/h5-6,8,11,14,16-18H,7H2,1-4H3/t11-,14+,15-/m1/s1 | |
| Standard InChI Key: | CFKUXGMWJIWBHI-BYCMXARLSA-N | |
| SMILES: | O[C@H]1c2c(ccc(c2[C@@H](C[C@@]1(C)O)O)C)C(C)C | |
Molecular propeties
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| AlogP: | 2.34 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 2 | |
| Molecular Weight: | 250.16 | |
| Topological polar surface area: | 60.7 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.6 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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