Molecule

Quinolinone A

AlkaPlorer ID: AK027849

Synonym: None

IUPAC Name: (3R,4R)-4-hydroxy-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one

SMILES: COC1=CC=C([C@@]2(O)C3=CC=CC=C3N=C(O)[C@@H]2OC)C=C1

InChI: InChI=1S/C17H17NO4/c1-21-12-9-7-11(8-10-12)17(20)13-5-3-4-6-14(13)18-16(19)15(17)22-2/h3-10,15,20H,1-2H3,(H,18,19)/t15-,17+/m0/s1

InChIKey: VCKUOSKDXLTBDG-DOTOQJQBSA-N

PubChem CID: 25768656

LOTUS: LTS0257043

SuperNatural Ⅲ: SN0386591-01

NPASS: NPC264078

{

NPAtlas: NPA006947

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Sophora pachycarpa	Sophora	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aspergillus terricola	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Ilybius fenestratus	Ilybius	Dytiscidae	Coleoptera	Insecta	Arthropoda	Metazoa	Eukaryota
Dichotella gemmacea	Dichotella	Ellisellidae	Scleralcyonacea	Anthozoa	Cnidaria	Metazoa	Eukaryota
Hypomyces rosellus	Hypomyces	Hypocreaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Penicillium sp.	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Molecule Weight: 299.3260000000001

TPSA？: 71.28

MolLogP？: 2.5477000000000007

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 3

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

AKRT ID	Reaction	Reaction Link ID
AKRT011847	COc1ccc([C@@]2(O)c3ccccc3NC(=O)[C@@H]2O)cc1.C[SAH]>>COc1ccc([C@@]2(O)c3ccccc3NC(=O)[C@@H]2OC)cc1	RXN-23348
AKRT011848	COc1ccc([C@@]2(O)c3ccccc3NC(=O)[C@@H]2OC)cc1>>COc1ccc([C@@]2(O)c3c(O)cccc3NC(=O)[C@@H]2OC)cc1	RXN-23347