Crocusatin L
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL455866 | |
| PubChem: | 10419872 | |
| IUPAC: | 2-hydroxy-4-(hydroxymethyl)-3,5,5-trimethylcyclohex-3-en-1-one | |
| Standard InChI: | InChI=1S/C10H16O3/c1-6-7(5-11)10(2,3)4-8(12)9(6)13/h9,11,13H,4-5H2,1-3H3 | |
| Standard InChI Key: | HIZMOSZXHSNYFG-UHFFFAOYSA-N | |
| SMILES: | OCC1=C(C)C(O)C(=O)CC1(C)C | |
Molecular propeties
| ||
| AlogP: | 0.66 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 1 | |
| Molecular Weight: | 184.11 | |
| Topological polar surface area: | 57.5 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.8 | |
| Number of carbons: | 10 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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