(1R,4As,8Ar)-5,5,8A-Trimethyl-4-Oxo-1-[(E)-2-(5-Oxo-2H-Furan-4-Yl)Ethenyl]-4A,6,7,8-Tetrahydro-1H-Naphthalene-2-Carbaldehyde
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1288123 | |
| PubChem: | 52949806 | |
| IUPAC: | (1R,4aS,8aR)-5,5,8a-trimethyl-4-oxo-1-[(E)-2-(5-oxo-2H-furan-4-yl)ethenyl]-4a,6,7,8-tetrahydro-1H-naphthalene-2-carbaldehyde | |
| Standard InChI: | InChI=1S/C20H24O4/c1-19(2)8-4-9-20(3)15(6-5-13-7-10-24-18(13)23)14(12-21)11-16(22)17(19)20/h5-7,11-12,15,17H,4,8-10H2,1-3H3/b6-5+/t15-,17-,20+/m0/s1 | |
| Standard InChI Key: | RFLFJWXIHDVQJA-AJCWELBYSA-N | |
| SMILES: | O=CC1=CC(=O)[C@@H]2[C@]([C@H]1/C=C/C1=CCOC1=O)(C)CCCC2(C)C | |
Molecular propeties
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| AlogP: | 3.18 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 3 | |
| Molecular Weight: | 328.17 | |
| Topological polar surface area: | 60.4 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.5 | |
| Number of carbons: | 20 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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