Chamazulene Carboxylic Acid
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL497088 | |
| PubChem: | 3083593 | |
| IUPAC: | (2S)-2-(3,8-dimethylazulen-5-yl)propanoic acid | |
| Standard InChI: | InChI=1S/C15H16O2/c1-9-4-6-12(11(3)15(16)17)8-14-10(2)5-7-13(9)14/h4-8,11H,1-3H3,(H,16,17)/t11-/m0/s1 | |
| Standard InChI Key: | VEHBLYQIKWPOQM-NSHDSACASA-N | |
| SMILES: | C[C@@H](c1ccc(c2c(c1)c(C)cc2)C)C(=O)O | |
Molecular propeties
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| AlogP: | 3.6 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 2 | |
| Molecular Weight: | 228.12 | |
| Topological polar surface area: | 37.3 | |
| 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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