Epi-Conferdione
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1078838 | |
| PubChem: | 11875353 | |
| IUPAC: | (4R,4aS,8aS)-3,4a,8,8-tetramethyl-4-[(2-oxochromen-7-yl)oxymethyl]-4,5,6,8a-tetrahydronaphthalene-1,7-dione | |
| Standard InChI: | InChI=1S/C24H26O5/c1-14-11-18(25)22-23(2,3)20(26)9-10-24(22,4)17(14)13-28-16-7-5-15-6-8-21(27)29-19(15)12-16/h5-8,11-12,17,22H,9-10,13H2,1-4H3/t17-,22-,24+/m1/s1 | |
| Standard InChI Key: | DXVHSOMRFHJYQX-BSDZUQITSA-N | |
| SMILES: | CC1=CC(=O)[C@H]2[C@@]([C@@H]1COc1ccc3c(c1)oc(=O)cc3)(C)CCC(=O)C2(C)C | |
Molecular propeties
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| AlogP: | 4.33 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 4 | |
| Molecular Weight: | 394.18 | |
| Topological polar surface area: | 69.7 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.458 | |
| Number of carbons: | 24 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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