Rac-Calamusin C
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL2063011 | |
| PubChem: | 70684348 | |
| IUPAC: | 5-hydroxy-7-(2-hydroxypropan-2-yl)-4,10-dimethyl-11-oxatricyclo[5.3.1.01,5]undeca-3,9-dien-8-one | |
| Standard InChI: | InChI=1S/C15H20O4/c1-9-5-6-14-10(2)7-11(16)15(19-14,12(3,4)17)8-13(9,14)18/h5,7,17-18H,6,8H2,1-4H3 | |
| Standard InChI Key: | JAFPUBAHPUVGPL-UHFFFAOYSA-N | |
| SMILES: | O=C1C=C(C)C23OC1(CC2(O)C(=CC3)C)C(O)(C)C | |
Molecular propeties
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| AlogP: | 1.27 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 264.14 | |
| Topological polar surface area: | 66.8 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.667 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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