Crocusatin H
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL451014 | |
| PubChem: | 637013 | |
| IUPAC: | (3S)-3-hydroxy-3-[(4S)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]propanoic acid | |
| Standard InChI: | InChI=1S/C12H20O4/c1-7-4-8(13)6-12(2,3)11(7)9(14)5-10(15)16/h8-9,13-14H,4-6H2,1-3H3,(H,15,16)/t8-,9-/m0/s1 | |
| Standard InChI Key: | FSOYBCXXCQPHMB-IUCAKERBSA-N | |
| SMILES: | O[C@H]1CC(=C(C(C1)(C)C)[C@H](CC(=O)O)O)C | |
Molecular propeties
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| AlogP: | 1.32 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 1 | |
| Molecular Weight: | 228.14 | |
| Topological polar surface area: | 77.8 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.75 | |
| Number of carbons: | 12 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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