Chamazulene
Representations & DB's id
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| ChEBI: | CHEBI:3573 | |
|---|---|---|
| ChEMBL: | CHEMBL495665 | |
| PubChem: | 10719 | |
| IUPAC: | 7-ethyl-1,4-dimethylazulene | |
| Standard InChI: | InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3 | |
| Standard InChI Key: | GXGJIOMUZAGVEH-UHFFFAOYSA-N | |
| SMILES: | CCc1ccc(c2c(c1)c(C)cc2)C | |
Molecular propeties
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| AlogP: | 3.97 | |
|---|---|---|
| Hydrogen bonds acceptors: | 0 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 2 | |
| Molecular Weight: | 184.13 | |
| Topological polar surface area: | 0 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.286 | |
| Number of carbons: | 14 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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