Molecule

Pecilocin

AlkaPlorer ID: AK016568

Synonym: None

IUPAC Name: 1-[(2E,4E,6E,8R)-8-hydroxy-6-methyldodeca-2,4,6-trienoyl]pyrrolidin-2-one

Structure

SMILES: CCCC[C@@H](O)/C=C(C)/C=C/C=C/C(=O)N1CCCC1=O

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/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/b8-5+,10-6+,14-13+/t15-/m1/s1

InChIKey: ZYPGADGCNXOUJP-CXVPHVKISA-N

Reference

New Variotin Analogues from Aspergillus viridi-nutans

PubChem CID: 5282176

CAS: 19504-77-9

LOTUS: LTS0207444

SuperNatural Ⅲ: SN0483777-07

NPASS: NPC226982

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
None	Paecilomyces	Thermoascaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
None	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 291.391

TPSA？: 57.61

MolLogP？: 2.7452000000000014

Number of H-Donors: 1

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
Eremothecium coryli	Eremothecium coryli	MIC	1.0	ug.mL-1	10.1021/np990509b
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
Nadsonia fulvescens	Nadsonia fulvescens	MIC	1.0	ug.mL-1	10.1021/np990509b
Paecilomyces variotii	Paecilomyces variotii	MIC	1.0	ug.mL-1	10.1021/np990509b
Rattus norvegicus	DNA polymerase beta	IC50	200000.0	nM	10.1016/j.bmc.2013.12.038
Rhodotorula glutinis	Rhodotorula glutinis	MIC	1.0	ug.mL-1	10.1021/np990509b
None	Unchecked	IC50	200000.0	nM	10.1016/j.bmc.2013.12.038