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Variotin; 2',3'-Dihydro, 8'-ketone

AlkaPlorer ID: AK317409

Synonym: 1-(6-Methyl-1,8-dioxo-4,6-dodecadienyl)-2-pyrrolidinone, Formosusin B

IUPAC Name: (4E,6E)-6-methyl-1-(2-oxopyrrolidin-1-yl)dodeca-4,6-diene-1,8-dione

Structure

SMILES: CCCCC(=O)/C=C(C)/C=C/CCC(=O)N1CCCC1=O

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InChI: InChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5,8,13H,3-4,6-7,9-12H2,1-2H3/b8-5+,14-13+

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InChIKey: SHWIXYZQCHEFEH-SEYMNPNRSA-N

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Reference

PubChem CID: 76318301

CAS: 1547453-84-8

NPASS: NPC96272

Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 291.391

TPSA？: 54.45

MolLogP？: 3.1774000000000013

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bos taurus Deoxyribonuclease-1 IC50 200000.0 nM 10.1016/j.bmc.2013.12.038
Bos taurus DNA nucleotidylexotransferase IC50 200000.0 nM 10.1016/j.bmc.2013.12.038
Drosophila melanogaster DNA polymerase alpha catalytic subunit IC50 200000.0 nM 10.1016/j.bmc.2013.12.038
Drosophila melanogaster DNA polymerase delta catalytic subunit IC50 200000.0 nM 10.1016/j.bmc.2013.12.038
Enterobacteria phage T4 DNA polymerase IC50 200000.0 nM 10.1016/j.bmc.2013.12.038
Enterobacteria phage T4 Polynucleotide kinase IC50 200000.0 nM 10.1016/j.bmc.2013.12.038
Enterobacteria phage T7 DNA-directed RNA polymerase IC50 200000.0 nM 10.1016/j.bmc.2013.12.038
Homo sapiens DNA-directed DNA/RNA polymerase mu IC50 200000.0 nM 10.1016/j.bmc.2013.12.038
Homo sapiens DNA polymerase delta subunit 1 IC50 200000.0 nM 10.1016/j.bmc.2013.12.038
Homo sapiens DNA polymerase eta IC50 200000.0 nM 10.1016/j.bmc.2013.12.038
Homo sapiens DNA polymerase kappa IC50 200000.0 nM 10.1016/j.bmc.2013.12.038
Homo sapiens DNA polymerase lambda IC50 200000.0 nM 10.1016/j.bmc.2013.12.038
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 reverse transcriptase IC50 200000.0 nM 10.1016/j.bmc.2013.12.038
Mus musculus DNA polymerase lambda IC50 200000.0 nM 10.1016/j.bmc.2013.12.038
Mus musculus Inosine-5'-monophosphate dehydrogenase 2 IC50 200000.0 nM 10.1016/j.bmc.2013.12.038
Rattus norvegicus DNA polymerase beta IC50 200000.0 nM 10.1016/j.bmc.2013.12.038
None Unchecked IC50 200000.0 nM 10.1016/j.bmc.2013.12.038

Metabolism Information