Aknadilactam
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1097185 | |
| PubChem: | 15764659 | |
| IUPAC: | (1R,10S)-3-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-13,16-dione | |
| Standard InChI: | InChI=1S/C20H23NO6/c1-21-14(23)10-19-9-12(22)17(26-3)18(27-4)20(19,21)8-7-11-5-6-13(25-2)16(24)15(11)19/h5-6,24H,7-10H2,1-4H3/t19-,20-/m1/s1 | |
| Standard InChI Key: | CLWJGNIITFMBQR-WOJBJXKFSA-N | |
| SMILES: | COC1=C(OC)[C@@]23[C@](CC1=O)(CC(=O)N3C)c1c(CC2)ccc(c1O)OC | |
Molecular propeties
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| AlogP: | 1.66 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 4 | |
| Molecular Weight: | 373.15 | |
| Topological polar surface area: | 85.3 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.5 | |
| Number of carbons: | 20 | |