Molecule

Pyoluteorin

AlkaPlorer ID: AK021589

Synonym: 'Pyoluteorin'

IUPAC Name: (4,5-dichloro-1H-pyrrol-2-yl)-(2,6-dihydroxyphenyl)methanone

Structure

SMILES: O=C(C1=CC(Cl)=C(Cl)N1)C1=C(O)C=CC=C1O

InChI: InChI=1S/C11H7Cl2NO3/c12-5-4-6(14-11(5)13)10(17)9-7(15)2-1-3-8(9)16/h1-4,14-16H

InChIKey: JPGWTZORMBTNMF-UHFFFAOYSA-N

Reference

(+)-(S)-Dihydroaeruginoic Acid, an Inhibitor of Septoria tritici and Other Phytopathogenic Fungi and Bacteria, Produced by Pseudomonas fluorescens

PubChem CID: 33137

CAS: 25683-07-2

LOTUS: LTS0193742

COCONUT: CNP0303649

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Pseudomonas chlororaphis	Pseudomonas	Pseudomonadaceae	Pseudomonadales	Gammaproteobacteria	Pseudomonadota	None	Bacteria

Properties Information

Molecule Weight: 272.08700000000005

TPSA？: 73.32000000000001

MolLogP？: 2.9637000000000007

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bacillus subtilis	Bacillus subtilis	MIC	8.0	ug.mL-1	10.1021/acs.jnatprod.8b00979
Canis lupus familiaris	MDCK	IC50	4800.0	nM	10.1021/acs.jnatprod.8b00979
Enterococcus faecium	Enterococcus faecium	MIC	8.0	ug.mL-1	10.1021/acs.jnatprod.8b00979
Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	16.0	ug.mL-1	10.1021/acs.jnatprod.8b00979
Staphylococcus aureus	Staphylococcus aureus	MIC	4.0	ug.mL-1	10.1021/acs.jnatprod.8b00979
Staphylococcus aureus	Staphylococcus aureus	MIC	8.0	ug.mL-1	10.1021/acs.jnatprod.8b00979
Staphylococcus epidermidis	Staphylococcus epidermidis	MIC	4.0	ug.mL-1	10.1021/acs.jnatprod.8b00979
None	No relevant target	T1/2	10.08	hr	10.1002/ps.1856
None	No relevant target	T1/2	13.92	hr	10.1002/ps.1856
None	No relevant target	T1/2	16.56	hr	10.1002/ps.1856
None	No relevant target	T1/2	22.08	hr	10.1002/ps.1856
None	No relevant target	T1/2	30.96	hr	10.1002/ps.1856
None	No relevant target	T1/2	42.48	hr	10.1002/ps.1856
None	No relevant target	T1/2	74.4	hr	10.1002/ps.1856
None	No relevant target	T1/2	84.0	hr	10.1002/ps.1856
None	No relevant target	T1/2	451.2	hr	10.1002/ps.1856
None	No relevant target	T1/2	528.0	hr	10.1002/ps.1856
None	No relevant target	T1/2	556.8	hr	10.1002/ps.1856
None	No relevant target	T1/2	564.0	hr	10.1002/ps.1856
None	No relevant target	T1/2	573.6	hr	10.1002/ps.1856
None	No relevant target	T1/2	597.6	hr	10.1002/ps.1856
None	No relevant target	T1/2	636.0	hr	10.1002/ps.1856
None	No relevant target	T1/2	720.0	hr	10.1002/ps.1856
None	No relevant target	T1/2	746.4	hr	10.1002/ps.1856
None	No relevant target	T1/2	787.2	hr	10.1002/ps.1856
None	No relevant target	T1/2	835.2	hr	10.1002/ps.1856
None	No relevant target	T1/2	904.8	hr	10.1002/ps.1856
None	No relevant target	T1/2	1008.0	hr	10.1002/ps.1856
None	No relevant target	T1/2	1065.6	hr	10.1002/ps.1856
None	No relevant target	T1/2	1204.8	hr	10.1002/ps.1856
None	No relevant target	T1/2	1240.8	hr	10.1002/ps.1856
None	No relevant target	T1/2	1298.4	hr	10.1002/ps.1856

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT000070	*C(=O)CC(O)CC(=O)CC(=O)c1cc(Cl)c(Cl)[nH]1>>O=C(c1cc(Cl)c(Cl)[nH]1)c1c(O)cccc1O	RXN-19077