Haloxyline B
AlkaPlorer ID: AK085777
Synonym: None
IUPAC Name: (2Z,4Z)-22-hydroxy-1-[(3R)-3-hydroxypiperidin-1-yl]docosa-2,4-dien-1-one
Structure
SMILES: O=C(/C=C\C=C/CCCCCCCCCCCCCCCCCO)N1CCC[C@@H](O)C1
InChI: InChI=1S/C27H49NO3/c29-24-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-22-27(31)28-23-20-21-26(30)25-28/h14,16,18,22,26,29-30H,1-13,15,17,19-21,23-25H2/b16-14-,22-18-/t26-/m1/s1
InChIKey: NRAYLTGUCYPLFK-LCOJETABSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Haloxylon salicornicum | Haloxylon | Chenopodiaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 435.69300000000027
TPSA？: 60.77
MolLogP？: 6.316000000000008
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | Activity | nan | None | 10.1016/j.bmcl.2010.05.061 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 50.0 | ug.mL-1 | 10.1016/j.bmcl.2010.05.061 |