N-Methylkhaplofoline
AlkaPlorer ID: AK049631
Synonym: '2,2,10-trimethyl-2,3,4,10-tetrahydro-5H-pyrano2,3-bquinolin-5-one', 'MLS000701610', 'SMR000224792', 'N-Methylhaplofoline'
IUPAC Name: 2,2,10-trimethyl-3,4-dihydropyrano[2,3-b]quinolin-5-one
Structure
SMILES: CN1C2=C(CCC(C)(C)O2)C(=O)C2=CC=CC=C21
InChI: InChI=1S/C15H17NO2/c1-15(2)9-8-11-13(17)10-6-4-5-7-12(10)16(3)14(11)18-15/h4-7H,8-9H2,1-3H3
InChIKey: ZMHAAVLGKGXDBY-UHFFFAOYSA-N
Reference
Gerphytine, a new furanoquinoline alkaloid from Haplophyllum griffithianum
PubChem CID: 336326
CAS: 6391-67-9
LOTUS: LTS0053954
SuperNatural Ⅲ: SN0474251
COCONUT: CNP0322499
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 243.306
TPSA？: 31.23
MolLogP？: 2.642100000000001
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli K-12 | Beta-lactamase AmpC | Potency | 10000.0 | nM | None |
| Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] | Potency | 28183.8 | nM | None |
| Homo sapiens | HepG2 | INHIBITION | 2.76 | % | 10.1021/acsinfecdis.9b00482 |
| Homo sapiens | Prelamin-A/C | Potency | 5.0 | nM | None |
| Leishmania donovani | Leishmania donovani | Percent Effect | 2.084 | % | 10.6019/CHEMBL3988442 |
| Leishmania donovani (strain BPK282A1) | Methionyl-tRNA synthetase, putative | Inhibition | 16.32 | % | 10.6019/CHEMBL3988442 |
| Leishmania infantum | Histidine--tRNA ligase | Percent Effect | 3.448 | % | 10.6019/CHEMBL3988442 |
| Mus musculus | N1E-115 | BK | 4.0 | % | 10.1021/jm001007u |
| Mus musculus | N1E-115 | BK | nan | None | 10.1021/jm001007u |
| Mus musculus | N1E-115 | BNa | nan | None | 10.1021/jm001007u |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | Percent Effect | -1.11 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | Percent Effect | 14.41 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | ClpP1P2 | Percent Effect | 4.975 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Coenzyme A biosynthesis bifunctional protein CoaBC | Percent Effect | 7.83 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Polyketide synthase Pks13 | Percent Effect | 2.419 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Tryptophan--tRNA ligase | Percent Effect | 0.7341 | % | 10.6019/CHEMBL3988442 |
| Plasmodium berghei | Plasmodium berghei | INHIBITION | -27.3 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium berghei | Plasmodium berghei | INHIBITION | 4.42 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium falciparum | Plasmodium falciparum | INHIBITION | -116.0 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium falciparum | Plasmodium falciparum | INHIBITION | 1.05 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium falciparum | Plasmodium falciparum | Percent Effect | -121.51 | % | 10.6019/CHEMBL3988442 |
| Plasmodium falciparum (isolate 3D7) | Lysine--tRNA ligase | Percent Effect | 0.6631 | % | 10.6019/CHEMBL3988442 |
| Trypanosoma brucei | Trypanosoma brucei | Percent Effect | -30.17 | % | 10.6019/CHEMBL3988442 |
| Trypanosoma cruzi | Trypanosoma cruzi | Percent Effect | -364.26 | % | 10.6019/CHEMBL3988442 |
| Trypanosoma cruzi (strain CL Brener) | Histidine--tRNA ligase | Percent Effect | 5.155 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Inhibition | -9.34 | % | 10.6019/CHEMBL3507680 |
| None | Unchecked | Percent Effect | -1.52 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Percent Effect | -0.2376 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Percent Effect | 1.573 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Percent Effect | 14.07 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Potency | 14581.0 | nM | None |
| None | Unchecked | Potency | 29092.9 | nM | None |