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Pestalachloride A

AlkaPlorer ID: AK309845

Synonym: None

IUPAC Name: 3-(3,5-dichloro-2-hydroxy-6-methoxy-4-methylphenyl)-5,7-dihydroxy-4-(3-methylbut-2-enyl)-2,3-dihydroisoindol-1-one

Structure

SMILES: COC1=C(Cl)C(C)=C(Cl)C(O)=C1C1N=C(O)C2=C(O)C=C(O)C(CC=C(C)C)=C21

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InChI: InChI=1S/C21H21Cl2NO5/c1-8(2)5-6-10-11(25)7-12(26)14-13(10)18(24-21(14)28)15-19(27)16(22)9(3)17(23)20(15)29-4/h5,7,18,25-27H,6H2,1-4H3,(H,24,28)

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InChIKey: IFONQCDBHMGEFN-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Pestalotiopsis adusta Pestalotiopsis Sporocadaceae Xylariales Sordariomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 438.3070000000002

TPSA？: 102.51

MolLogP？: 5.343520000000005

Number of H-Donors: 4

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Alternaria mali Alternaria mali ED50 50.0 ug ml-1 10.1021/np400301d
Aspergillus niger Aspergillus niger ED50 50.0 ug ml-1 10.1021/np400301d
Botrytis cinerea Botrytis cinerea ED50 50.0 ug ml-1 10.1021/np400301d
Fusarium culmorum Fusarium culmorum ED50 31.9 ug ml-1 10.1021/np400301d
Fusarium culmorum Fusarium culmorum IC50 890.0 nM 10.1016/j.bmc.2008.07.075
Fusarium culmorum Fusarium culmorum MIC 7200.0 nM 10.1016/j.bmc.2008.07.075
Fusarium graminearum Fusarium graminearum ED50 50.0 ug ml-1 10.1021/np400301d
Fusarium graminearum Fusarium graminearum IC50 54400.0 nM 10.1016/j.bmc.2008.07.075
Fusarium graminearum Fusarium graminearum MIC 114400.0 nM 10.1016/j.bmc.2008.07.075
Phytophthora infestans Phytophthora infestans ED50 50.0 ug ml-1 10.1021/np400301d
Pseudomonas fluorescens Pseudomonas fluorescens ED50 50.0 ug ml-1 10.1021/np400301d
Pyricularia oryzae Pyricularia oryzae ED50 50.0 ug ml-1 10.1021/np400301d
Pythium aphanidermatum Pythium aphanidermatum ED50 50.0 ug ml-1 10.1021/np400301d
Staphylococcus aureus Staphylococcus aureus MIC 10.0 ug.mL-1 10.1021/np400301d
Verticillium albo-atrum Verticillium albo-atrum IC50 58300.0 nM 10.1016/j.bmc.2008.07.075
Verticillium albo-atrum Verticillium albo-atrum MIC 114400.0 nM 10.1016/j.bmc.2008.07.075
Zymoseptoria tritici Zymoseptoria tritici ED50 50.0 ug ml-1 10.1021/np400301d
None Molecular identity unknown ED50 33.1 ug ml-1 10.1021/np400301d
None Molecular identity unknown ED50 50.0 ug ml-1 10.1021/np400301d

Metabolism Information