Taraxacin
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL449951 | |
| PubChem: | 5241825 | |
| IUPAC: | 1,5,8-trimethyl-3a,4-dihydroazuleno[6,5-b]furan-2,6-dione | |
| Standard InChI: | InChI=1S/C15H14O3/c1-7-4-12(16)14-8(2)5-13-11(6-10(7)14)9(3)15(17)18-13/h4,6,13H,5H2,1-3H3 | |
| Standard InChI Key: | BAHMQESJBKGPTE-UHFFFAOYSA-N | |
| SMILES: | CC1=C2C=C3C(=CC(=O)C3=C(CC2OC1=O)C)C | |
Molecular propeties
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| AlogP: | 2.4 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 3 | |
| Molecular Weight: | 242.09 | |
| Topological polar surface area: | 43.4 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.267 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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