[(9R,10R)-10-Hydroxy-8,8-Dimethyl-2-Oxo-9,10-Dihydropyrano[2,3-F]Chromen-9-Yl] (Z)-2-Methylbut-2-Enoate
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL463449 | |
| PubChem: | 11244847 | |
| IUPAC: | [(9R,10R)-10-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] (Z)-2-methylbut-2-enoate | |
| Standard InChI: | InChI=1S/C19H20O6/c1-5-10(2)18(22)24-17-15(21)14-12(25-19(17,3)4)8-6-11-7-9-13(20)23-16(11)14/h5-9,15,17,21H,1-4H3/b10-5-/t15-,17-/m1/s1 | |
| Standard InChI Key: | KJWFOHVSTFGWGZ-YCDQCDSPSA-N | |
| SMILES: | C/C=C(C(=O)O[C@@H]1[C@H](O)c2c(OC1(C)C)ccc1c2oc(=O)cc1)/C | |
Molecular propeties
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| AlogP: | 2.88 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 344.13 | |
| Topological polar surface area: | 82.1 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.368 | |
| Number of carbons: | 19 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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