Aknadinine
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1098359 | |
| PubChem: | 159966 | |
| IUPAC: | (1S,10S)-3-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one | |
| Standard InChI: | InChI=1S/C20H25NO5/c1-21-10-9-19-11-13(22)17(25-3)18(26-4)20(19,21)8-7-12-5-6-14(24-2)16(23)15(12)19/h5-6,23H,7-11H2,1-4H3/t19-,20+/m0/s1 | |
| Standard InChI Key: | XLWYWPDYNLZUJS-VQTJNVASSA-N | |
| SMILES: | COC1=C(OC)[C@@]23[C@](CC1=O)(CCN3C)c1c(CC2)ccc(c1O)OC | |
Molecular propeties
| ||
| AlogP: | 2.14 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 4 | |
| Molecular Weight: | 359.17 | |
| Topological polar surface area: | 68.2 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.55 | |
| Number of carbons: | 20 | |