Molecule

2-Nonylquinolin-4(1h)-One

AlkaPlorer ID: AK005764

Synonym: None

IUPAC Name: 2-nonyl-1H-quinolin-4-one

SMILES: CCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1

InChI: InChI=1S/C18H25NO/c1-2-3-4-5-6-7-8-11-15-14-18(20)16-12-9-10-13-17(16)19-15/h9-10,12-14H,2-8,11H2,1H3,(H,19,20)

InChIKey: KKRXDNYRUZGPFM-UHFFFAOYSA-N

PubChem CID: 9856730

CAS: 55396-45-7

LOTUS: LTS0000854

COCONUT: CNP0242693

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Haplophyllum acutifolium	Haplophyllum	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ruta graveolens	Ruta	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Raulinoa echinata	Raulinoa	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 271.404

TPSA？: 32.86

MolLogP？: 4.821200000000004

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Botrytis cinerea	Botrytis cinerea	Activity	nan	None	10.1021/jf0259361
Colletotrichum acutatum	Colletotrichum acutatum	GI	50.0	%	10.1016/s1099-4831(07)64004-8
Colletotrichum acutatum	Colletotrichum acutatum	GI	50.0	%	10.1021/jf0259361
Colletotrichum fragariae	Colletotrichum fragariae	GI	nan	None	10.1021/jf0259361
Diaporthe ampelina	Diaporthe ampelina	GI	nan	None	10.1021/jf0259361
Fusarium oxysporum	Fusarium oxysporum	GI	37.0	%	10.1016/s1099-4831(07)64004-8
Fusarium oxysporum	Fusarium oxysporum	GI	37.0	%	10.1021/jf0259361
Homo sapiens	HeLa	Activity	nan	None	10.1021/acs.jnatprod.0c00026
Phomopsis obscurans	Phomopsis obscurans	GI	100.0	%	10.1021/jf0259361
Phomopsis obscurans	Phomopsis obscurans	GI	nan	None	10.1021/jf0259361
Staphylococcus aureus	Staphylococcus aureus	Activity	nan	None	10.1021/acs.jnatprod.0c00026
Staphylococcus epidermidis	Staphylococcus epidermidis	Activity	nan	None	10.1021/acs.jnatprod.0c00026

AKRT ID	Reaction	Reaction Link ID
AKRT009341	CCCCCCCCCc1cc(=O)c2ccccc2[nH]1>>CCCCCCCCCc1[nH]c2ccccc2c(=O)c1O	enzymemap_11826