Molecule

1,4-dihydroquinolin-4-one

AlkaPlorer ID: AK255409

Synonym: None

IUPAC Name: 1H-quinolin-4-one

Structure

SMILES: O=C1C=CNC2=CC=CC=C12

InChI: InChI=1S/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11)

InChIKey: PMZDQRJGMBOQBF-UHFFFAOYSA-N

Reference

Acridone alkaloids. Part 9. Chemical constituents of Glycosmis citrifolia(Willd.) Lindl. Structures of novel linear pyranoacridones, furoacridones, and other new acridone alkaloids

PubChem CID: 69141

CAS: 5050-48-6

LOTUS: LTS0261558

COCONUT: CNP0216865

data_source: manually

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Glycosmis parviflora	Glycosmis	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 145.16099999999997

TPSA？: 32.86

MolLogP？: 1.5281

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Electrophorus electricus	Acetylcholinesterase	Inhibition	32.5	%	10.1016/j.bmcl.2015.07.026
Equus caballus	Cholinesterase	Inhibition	28.75	%	10.1016/j.bmcl.2015.07.026
Homo sapiens	Histone acetyltransferase KAT8	IC50	500000.0	nM	10.1016/j.ejmech.2017.05.015
Homo sapiens	Histone acetyltransferase KAT8	Inhibition	nan	%	10.1016/j.ejmech.2017.05.015
Homo sapiens	Histone acetyltransferase p300	IC50	nan	None	10.1016/j.ejmech.2017.05.015
Homo sapiens	Histone acetyltransferase PCAF	IC50	nan	None	10.1016/j.ejmech.2017.05.015
Homo sapiens	UDP-glucuronosyltransferase 1-6	Activity	0.0	pm/min/mg	10.1146/annurev.pharmtox.40.1.581
Homo sapiens	UDP-glucuronosyltransferase 1-9	Activity	0.0	pm/min/mg	10.1146/annurev.pharmtox.40.1.581
Rattus norvegicus	Brain	Activity	0.77	nmol	10.1016/j.bmc.2011.11.068
Rattus norvegicus	Brain	Activity	0.92	nmol	10.1016/j.bmc.2011.11.068
Rattus norvegicus	Brain	Activity	0.93	nmol	10.1016/j.bmc.2011.11.068
Rattus norvegicus	Brain	Activity	nan	None	10.1016/j.bmc.2011.11.068
None	NON-PROTEIN TARGET	Activity	nan	None	10.1016/j.bmc.2011.11.068
None	NON-PROTEIN TARGET	Ratio	0.23	None	10.1016/j.bmc.2011.11.068
None	NON-PROTEIN TARGET	Ratio	1.69	None	10.1016/j.bmc.2011.11.068
None	NON-PROTEIN TARGET	Ratio	2.82	None	10.1016/j.bmc.2011.11.068
None	No relevant target	Activity	nan	None	10.1016/j.bmc.2011.11.068
None	No relevant target	EC50	1000000.0	nM	10.1016/j.ejmech.2017.05.015
None	No relevant target	LogD7.4	0.8	None	10.6019/CHEMBL3301361
None	No relevant target	Ratio	1.5	None	10.1016/j.bmc.2011.11.068
None	Unchecked	Inhibition	nan	%	10.1021/ml3001006

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT020703	Nc1ccccc1C(=O)CC=O>>Oc1ccnc2ccccc12	70291
AKRT024371	O=c1cc[nH]c2ccccc12>>O=c1c(O)c[nH]c2ccccc12	enzymemap_12443
AKRT024892	Oc1ccnc2ccccc12>>Oc1cnc2ccccc2c1O	1.14.13.62-RXN