Molecule

Peniprequinolone

AlkaPlorer ID: AK022189

Synonym: 'SMR000440679', '(-)-Peniprequinolone', 'Peniprequinolone', 'MLSMR', 'MLS000876990'

IUPAC Name: (3S,4S)-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-6-(3-methylbut-2-enyl)-1,3-dihydroquinolin-2-one

Structure

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

InChI: InChI=1S/C22H25NO5/c1-13(2)5-6-14-7-12-17-18(19(14)24)22(26,20(28-4)21(25)23-17)15-8-10-16(27-3)11-9-15/h5,7-12,20,24,26H,6H2,1-4H3,(H,23,25)/t20-,22+/m1/s1

InChIKey: ZRZQXSGEIJXJEO-IRLDBZIGSA-N

Reference

Nematicidal Alkaloids and Related Compounds Produced by the Fungus<i>Penicillium</i>cf.<i>simplicissimum</i>

PubChem CID: 133556262

LOTUS: LTS0127778

SuperNatural Ⅲ: SN0478727-01

NPASS: NPC131387

data_source: manually

Source

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

Properties Information

Molecule Weight: 383.4440000000001

TPSA？: 91.51

MolLogP？: 3.762000000000001

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi