Peniprequinolone
AlkaPlorer ID: AK022188
Synonym: None
IUPAC Name: (3R,4R)-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+/m0/s1
InChIKey: ZRZQXSGEIJXJEO-RBBKRZOGSA-N
Reference
PubChem CID: 16681748
LOTUS: LTS0080535
SuperNatural Ⅲ: SN0478727-02
NPASS: NPC168153
{NPAtlas: NPA012839
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| Penicillium janczewskii | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| None | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | 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 |
|---|---|---|---|---|---|
| Equus caballus | Ferritin light chain | Potency | 22387.2 | nM | None |
| Homo sapiens | A549 | Activity | nan | None | 10.1021/np058018g |
| Homo sapiens | CAKI-1 | Activity | nan | None | 10.1021/np058018g |
| Homo sapiens | DNA polymerase iota | Potency | 44668.4 | nM | None |
| Homo sapiens | DU-145 | Activity | 30.8 | % | 10.1021/np058018g |
| Homo sapiens | Glucagon-like peptide 1 receptor | Potency | 11220.2 | nM | None |
| Homo sapiens | Histone acetyltransferase GCN5 | Potency | 100.0 | nM | None |
| Homo sapiens | HT-29 | Activity | 4.0 | % | 10.1021/np058018g |
| Homo sapiens | K562 | Activity | nan | None | 10.1021/np058018g |
| Homo sapiens | Lysine-specific demethylase 4A | Potency | 56234.1 | nM | None |
| Homo sapiens | MDA-MB-231 | Activity | 8.4 | % | 10.1021/np058018g |
| Homo sapiens | Neuropeptide S receptor | Potency | 12589.3 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 2909.3 | nM | None |
| Homo sapiens | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Potency | 79432.8 | nM | None |
| Homo sapiens | SK-MEL-2 | Activity | nan | None | 10.1021/np058018g |
| Homo sapiens | SK-OV-3 | Activity | 20.2 | % | 10.1021/np058018g |
| Mus musculus | Nuclear receptor ROR-gamma | Potency | 251.2 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Inhibition | 29.0 | % | 10.6019/CHEMBL4888484 |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 9285.0 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Z score | -3.26 | None | 10.6019/CHEMBL4888484 |
| None | Unchecked | Potency | 10000.0 | nM | None |
| None | Unchecked | Potency | 35481.3 | nM | None |