Molecule

pyocyanin

AlkaPlorer ID: AK008925

Synonym: None

IUPAC Name: 5-methylphenazin-1-one

Structure

SMILES: C[N+]1=C2C=CC=CC2=NC2=C([O-])C=CC=C21

InChI: InChI=1S/C13H10N2O/c1-15-10-6-3-2-5-9(10)14-13-11(15)7-4-8-12(13)16/h2-8H,1H3

InChIKey: YNCMLFHHXWETLD-UHFFFAOYSA-N

Reference

Studies on cell growth stimulating substances of low molecular weight. Part 2. Exfoliazone and lavanducyanin, potent growth promoting substances of rat liver cell line, RLN-8, produced by, Streptomyces exfoliatus and Streptomyces aeriouvifer.

PubChem CID: 6817

CAS: 1401463-54-4

LOTUS: LTS0226836

NPASS: NPC186750

COCONUT: CNP0170305

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 210.236

TPSA？: 39.83

MolLogP？: 1.2860999999999998

Number of H-Donors: 0

Number of H-Acceptors: 2

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Alpha-1a adrenergic receptor	Inhibition	nan	%	10.1016/j.ejmech.2019.111800
Homo sapiens	Alpha-1b adrenergic receptor	Inhibition	nan	%	10.1016/j.ejmech.2019.111800
Homo sapiens	Alpha-1d adrenergic receptor	Inhibition	nan	%	10.1016/j.ejmech.2019.111800
Homo sapiens	Beta-1 adrenergic receptor	Inhibition	nan	%	10.1016/j.ejmech.2019.111800
Homo sapiens	Beta-2 adrenergic receptor	Inhibition	nan	%	10.1016/j.ejmech.2019.111800
Homo sapiens	Beta-3 adrenergic receptor	Inhibition	nan	%	10.1016/j.ejmech.2019.111800
Homo sapiens	Delta opioid receptor	Inhibition	nan	%	10.1016/j.ejmech.2019.111800
Homo sapiens	Dopamine D1 receptor	Inhibition	nan	%	10.1016/j.ejmech.2019.111800
Homo sapiens	Dopamine D2 receptor	Inhibition	nan	%	10.1016/j.ejmech.2019.111800
Homo sapiens	Dopamine D3 receptor	Inhibition	nan	%	10.1016/j.ejmech.2019.111800
Homo sapiens	Dopamine D4 receptor	Inhibition	nan	%	10.1016/j.ejmech.2019.111800
Homo sapiens	Dopamine D5 receptor	Inhibition	nan	%	10.1016/j.ejmech.2019.111800
Homo sapiens	Dopamine transporter	Inhibition	nan	%	10.1016/j.ejmech.2019.111800
Homo sapiens	Histamine H1 receptor	Inhibition	nan	%	10.1016/j.ejmech.2019.111800
Homo sapiens	Histamine H2 receptor	Inhibition	nan	%	10.1016/j.ejmech.2019.111800
Homo sapiens	Histamine H3 receptor	Inhibition	nan	%	10.1016/j.ejmech.2019.111800
Homo sapiens	Histamine H4 receptor	Inhibition	nan	%	10.1016/j.ejmech.2019.111800
Homo sapiens	Kappa opioid receptor	Inhibition	nan	%	10.1016/j.ejmech.2019.111800
Homo sapiens	Mu opioid receptor	Inhibition	nan	%	10.1016/j.ejmech.2019.111800
Homo sapiens	Muscarinic acetylcholine receptor M1	Inhibition	nan	%	10.1016/j.ejmech.2019.111800
Homo sapiens	Muscarinic acetylcholine receptor M2	Inhibition	nan	%	10.1016/j.ejmech.2019.111800
Homo sapiens	Muscarinic acetylcholine receptor M3	Inhibition	nan	%	10.1016/j.ejmech.2019.111800
Homo sapiens	Muscarinic acetylcholine receptor M4	Inhibition	nan	%	10.1016/j.ejmech.2019.111800
Homo sapiens	Muscarinic acetylcholine receptor M5	Inhibition	nan	%	10.1016/j.ejmech.2019.111800
Homo sapiens	Norepinephrine transporter	Inhibition	nan	%	10.1016/j.ejmech.2019.111800
Homo sapiens	Serotonin 1a (5-HT1a) receptor	Inhibition	nan	%	10.1016/j.ejmech.2019.111800
Homo sapiens	Serotonin 1b (5-HT1b) receptor	Inhibition	nan	%	10.1016/j.ejmech.2019.111800
Homo sapiens	Serotonin 1d (5-HT1d) receptor	Inhibition	nan	%	10.1016/j.ejmech.2019.111800
Homo sapiens	Serotonin 1e (5-HT1e) receptor	Inhibition	nan	%	10.1016/j.ejmech.2019.111800
Homo sapiens	Serotonin 2a (5-HT2a) receptor	Inhibition	nan	%	10.1016/j.ejmech.2019.111800
Homo sapiens	Serotonin 2b (5-HT2b) receptor	Inhibition	nan	%	10.1016/j.ejmech.2019.111800
Homo sapiens	Serotonin 2c (5-HT2c) receptor	Inhibition	nan	%	10.1016/j.ejmech.2019.111800
Homo sapiens	Serotonin 3a (5-HT3a) receptor	Inhibition	nan	%	10.1016/j.ejmech.2019.111800
Homo sapiens	Serotonin transporter	Inhibition	nan	%	10.1016/j.ejmech.2019.111800
Homo sapiens	Sigma intracellular receptor 2	Inhibition	nan	%	10.1016/j.ejmech.2019.111800
Homo sapiens	Sigma opioid receptor	Inhibition	nan	%	10.1016/j.ejmech.2019.111800
Meloidogyne incognita	Meloidogyne incognita	EC100	250.0	mg/L	10.1021/jf305164m
Meloidogyne incognita	Meloidogyne incognita	EC50	72.0	ug.mL-1	10.1021/jf305164m
Mus musculus	NIH3T3	IC50	3.54	ug.mL-1	10.1016/j.ejmech.2019.111800
Mus musculus	NIH3T3	IC50	3.66	ug.mL-1	10.1016/j.ejmech.2019.111800
Rattus norvegicus	GABA-A receptor; anion channel	Inhibition	nan	%	10.1016/j.ejmech.2019.111800
Staphylococcus aureus	Staphylococcus aureus	MIC	50000.0	nM	10.1021/acs.jmedchem.9b00370
Staphylococcus epidermidis	Staphylococcus epidermidis	MIC	50000.0	nM	10.1021/acs.jmedchem.9b00370
None	Unchecked	Inhibition	nan	%	10.1016/j.ejmech.2019.111800

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT014787	C[n+]1c2ccccc2nc2c(C(=O)O)cccc21>>C[n+]1c2ccccc2nc2c(O)cccc21	RXN-11898