Salvilenone
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1997332 | |
| PubChem: | 389885 | |
| IUPAC: | 5,13,13-trimethyl-10-propan-2-yl-12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4,6,8(15),10-hexaen-9-one | |
| Standard InChI: | InChI=1S/C20H20O2/c1-10(2)15-18(21)13-7-6-11(3)12-8-9-14-17(16(12)13)19(15)22-20(14,4)5/h6-10H,1-5H3 | |
| Standard InChI Key: | WDBJFWOOWQREKA-UHFFFAOYSA-N | |
| SMILES: | CC(C1=C2OC(c3c2c2c(C1=O)ccc(c2cc3)C)(C)C)C | |
Molecular propeties
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| AlogP: | 4.98 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 4 | |
| Molecular Weight: | 292.15 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.3 | |
| Number of carbons: | 20 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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