Pentanochelin
AlkaPlorer ID: AK328228
Synonym: None
IUPAC Name: N-[5-[(2,3-dihydroxybenzoyl)amino]pentyl]-2,3-dihydroxybenzamide
Structure
SMILES: O=C(NCCCCCNC(=O)C1=CC=CC(O)=C1O)C1=CC=CC(O)=C1O
InChI: InChI=1S/C19H22N2O6/c22-14-8-4-6-12(16(14)24)18(26)20-10-2-1-3-11-21-19(27)13-7-5-9-15(23)17(13)25/h4-9,22-25H,1-3,10-11H2,(H,20,26)(H,21,27)
InChIKey: BRWLZTCRFJVZDD-UHFFFAOYSA-N
Reference
Precursor-directed biosynthesis of catechol compounds in <i>Acinetobacter bouvetii</i> DSM 14964
PubChem CID: 15774019
{NPAtlas: NPA033094
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acinetobacter bouvetii | Acinetobacter | Moraxellaceae | Moraxellales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 374.3930000000001
TPSA？: 139.12
MolLogP？: 1.839100000000001
Number of H-Donors: 6
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | NON-PROTEIN TARGET | IC50 | 2500.0 | nM | 10.1016/j.bmc.2009.02.040 |
| None | NON-PROTEIN TARGET | IC50 | 2700.0 | nM | 10.1016/j.bmc.2009.02.040 |
| None | NON-PROTEIN TARGET | Inhibition | 45.0 | % | 10.1016/j.bmc.2009.02.040 |