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Pyrophen

AlkaPlorer ID: AK035059

Synonym: None

IUPAC Name: N-[(1S)-1-(4-methoxy-6-oxopyran-2-yl)-2-phenylethyl]acetamide

Structure

SMILES: COC1=CC(=O)OC([C@H](CC2=CC=CC=C2)N=C(C)O)=C1

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InChI: InChI=1S/C16H17NO4/c1-11(18)17-14(8-12-6-4-3-5-7-12)15-9-13(20-2)10-16(19)21-15/h3-7,9-10,14H,8H2,1-2H3,(H,17,18)/t14-/m0/s1

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InChIKey: VFMQMACUYWGDOJ-AWEZNQCLSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Aspergillus niger Aspergillus Aspergillaceae Eurotiales Eurotiomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 287.315

TPSA？: 72.03

MolLogP？: 2.9086000000000007

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Caenorhabditis elegans Cytoplasmic zinc-finger protein EC50 38668.0 nM None
Caenorhabditis elegans Zinc finger protein mex-5 EC50 27938.0 nM None
Candida albicans Candida albicans Activity nan None 10.1021/acs.jnatprod.9b00989
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Potency 19905.4 nM None
Homo sapiens Bromodomain adjacent to zinc finger domain protein 2B Potency 79432.8 nM None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 15848.9 nM None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 28183.8 nM None
Homo sapiens DNA polymerase beta Potency 17782.8 nM None
Homo sapiens DNA polymerase beta Potency 28183.8 nM None
Homo sapiens DNA polymerase eta Potency 19952.6 nM None
Homo sapiens DNA polymerase eta Potency 23934.1 nM None
Homo sapiens DNA polymerase iota Potency 31622.8 nM None
Homo sapiens DNA polymerase iota Potency 37685.8 nM None
Homo sapiens DNA polymerase kappa Potency 31622.8 nM None
Homo sapiens Glutaminase kidney isoform, mitochondrial Potency 17782.8 nM None
Homo sapiens Importin subunit beta-1/Snurportin-1 Potency 50118.7 nM None
Homo sapiens Lethal(3)malignant brain tumor-like protein 1 Potency 6701.6 nM None
Homo sapiens Lethal(3)malignant brain tumor-like protein 1 Potency 19952.6 nM None
Homo sapiens Lysine-specific demethylase 4A Potency 63095.7 nM None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 8912.5 nM None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 19952.6 nM None
Homo sapiens Microtubule-associated protein tau Potency 891.3 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 20596.2 nM None
Homo sapiens T47D IC50 9.2 ug.mL-1 10.1021/acs.jnatprod.9b00989
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 251.2 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 20596.2 nM None
Homo sapiens Werner syndrome ATP-dependent helicase Potency 56234.1 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 11220.2 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 35481.3 nM None
Plasmodium falciparum Plasmodium falciparum Potency 2936.2 nM None
Plasmodium falciparum Plasmodium falciparum Potency 9285.0 nM None
Schistosoma mansoni Thioredoxin glutathione reductase Potency 50118.7 nM None
None Unchecked EC50 110000.0 nM None
None Unchecked Potency 12589.3 nM None
None Unchecked Potency 14581.0 nM None
None Unchecked Potency 37685.8 nM None

Metabolism Information