Rel-Zanthodioline
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL2236572 | |
| PubChem: | 5315424 | |
| IUPAC: | (3S,4R)-3,4-dihydroxy-7-methoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one | |
| Standard InChI: | InChI=1S/C16H19NO5/c1-16(2)14(19)12(18)10-13(22-16)8-6-5-7-9(21-4)11(8)17(3)15(10)20/h5-7,12,14,18-19H,1-4H3/t12-,14+/m1/s1 | |
| Standard InChI Key: | GQGXEILPTLCMFO-OCCSQVGLSA-N | |
| SMILES: | COc1cccc2c1n(C)c(=O)c1c2OC(C)(C)[C@H]([C@@H]1O)O | |
Molecular propeties
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| AlogP: | 1.11 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 305.13 | |
| Topological polar surface area: | 79.2 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.438 | |
| Number of carbons: | 16 | |