Kopsiloscine B
AlkaPlorer ID: AK074683
Synonym: None
IUPAC Name: dimethyl (1S,9R,16S,17S,18R,21R)-17,18-dihydroxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-2,18-dicarboxylate
Structure
SMILES: COC(=O)N1C2=CC=CC=C2[C@@]23CCN4CCC[C@]5(CC[C@]12[C@](O)(C(=O)OC)[C@H]5O)[C@H]43
InChI: InChI=1S/C23H28N2O6/c1-30-18(27)23(29)17(26)20-8-5-12-24-13-11-21(16(20)24)14-6-3-4-7-15(14)25(19(28)31-2)22(21,23)10-9-20/h3-4,6-7,16-17,26,29H,5,8-13H2,1-2H3/t16-,17-,20-,21+,22-,23+/m0/s1
InChIKey: GMLJERYGIGLLSG-NQBQLGQDSA-N
Source
Properties Information
Molecule Weight: 428.4850000000002
TPSA？: 99.54000000000002
MolLogP？: 1.1764999999999997
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | IC50 | 25.0 | ug.mL-1 | 10.1021/np0703747 |
| None | NON-PROTEIN TARGET | IC50 | 25.0 | ug.mL-1 | 10.1021/np0703747 |
| None | NON-PROTEIN TARGET | IC50 | 11700.0 | nM | 10.1021/np0703747 |