Propanochelin
AlkaPlorer ID: AK328226
Synonym: None
IUPAC Name: N-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-2,3-dihydroxybenzamide
Structure
SMILES: O=C(NCCCNC(=O)C1=CC=CC(O)=C1O)C1=CC=CC(O)=C1O
InChI: InChI=1S/C17H18N2O6/c20-12-6-1-4-10(14(12)22)16(24)18-8-3-9-19-17(25)11-5-2-7-13(21)15(11)23/h1-2,4-7,20-23H,3,8-9H2,(H,18,24)(H,19,25)
InChIKey: VIKJLUHSZSBRPD-UHFFFAOYSA-N
Reference
Precursor-directed biosynthesis of catechol compounds in <i>Acinetobacter bouvetii</i> DSM 14964
PubChem CID: 15848607
{NPAtlas: NPA033092
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acinetobacter bouvetii | Acinetobacter | Moraxellaceae | Moraxellales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 346.33900000000006
TPSA？: 139.12
MolLogP？: 1.0588999999999993
Number of H-Donors: 6
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | Human immunodeficiency virus type 1 integrase | IC50 | 31000.0 | nM | 10.1021/jm070715d |
| Human immunodeficiency virus 1 | Human immunodeficiency virus type 1 integrase | IC50 | 33000.0 | nM | 10.1021/jm070715d |