(+)-isomalbrancheamide B
AlkaPlorer ID: AK082805
Synonym: None
IUPAC Name: (1S,13S,15S)-6-chloro-12,12-dimethyl-10,19,21-triazahexacyclo[13.5.2.01,13.03,11.04,9.015,19]docosa-3(11),4(9),5,7-tetraen-22-one
Structure
SMILES: CC1(C)C2=C(C[C@@]34CN5CCC[C@]5(C[C@@H]13)C(O)=N4)C1=CC(Cl)=CC=C1N2
InChI: InChI=1S/C21H24ClN3O/c1-19(2)16-10-21-6-3-7-25(21)11-20(16,24-18(21)26)9-14-13-8-12(22)4-5-15(13)23-17(14)19/h4-5,8,16,23H,3,6-7,9-11H2,1-2H3,(H,24,26)/t16-,20+,21-/m0/s1
InChIKey: OLTNNHBFPVARTE-DQLDELGASA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Graminicola | Sylviidae | Passeriformes | Aves | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 369.896
TPSA？: 51.62
MolLogP？: 4.218400000000003
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | IC50 | 60330.0 | nM | 10.1016/j.bmcl.2008.10.057 |
| None | Unchecked | Ratio IC50 | 0.2 | None | 10.1016/j.bmcl.2008.10.057 |