Crocusatin K
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL446756 | |
| PubChem: | 641786 | |
| IUPAC: | (4R,5R)-4,5-dihydroxy-2,6,6-trimethylcyclohexene-1-carbaldehyde | |
| Standard InChI: | InChI=1S/C10H16O3/c1-6-4-8(12)9(13)10(2,3)7(6)5-11/h5,8-9,12-13H,4H2,1-3H3/t8-,9+/m1/s1 | |
| Standard InChI Key: | YDOIHIWSLMXTHV-BDAKNGLRSA-N | |
| SMILES: | O=CC1=C(C)C[C@H]([C@@H](C1(C)C)O)O | |
Molecular propeties
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| AlogP: | 0.65 | |
|---|---|---|
| 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: | 0.7 | |
| Number of carbons: | 10 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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