PHYSCION

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Synonyms
UNII H6PT94IV61
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key FFWOKTFYGVYKIR-UHFFFAOYSA-N
Smiles COc1cc(O)c2C(=O)c3c(O)cc(C)cc3C(=O)c2c1
InChI
InChI=1S/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19)5-8(21-2)6-12(14)18/h3-6,17-18H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H12O5
Molecular Weight 284.26
AlogP 2.79
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 83.83
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 21.0
Assay Description Organism Bioactivity Reference
Bactericidal activity against Erwinia amylovora 295/93 assessed as growth inhibition in King's B full medium measured at pH 7.2 after overnight incubation by suspension culture assay Erwinia amylovora None
Antiamoebic activity against Entamoeba histolytica Entamoeba histolytica 12.7 ug.mL-1
Antifeedant activity against Spodoptera litura in Ricinus communis leaves assessed as mean leaf area fed by dual choice leaf disc bioassay Spodoptera litura 30.0 %
Antifeedant activity against Spodoptera litura in Ricinus communis leaves assessed as mean leaf area fed at 1 ug/cm'2 by dual choice leaf disc bioassay (Rvb = 53 +/- 2.44 to 53.6 +/- 2.61 cm'2) Spodoptera litura 33.4 cm2
Antifeedant activity against Spodoptera litura in Ricinus communis leaves assessed as mean leaf area fed at 5 ug/cm'2 by dual choice leaf disc bioassay (Rvb = 52.6 +/- 1.34 to 55.6 +/- 3.71 cm'2) Spodoptera litura 21.6 cm2
Antifeedant activity against Spodoptera litura in Ricinus communis leaves assessed as mean leaf area fed at 10 ug/cm'2 by dual choice leaf disc bioassay (Rvb = 52.8 +/- 2.50 to 53.6 +/- 4.76 cm'2) Spodoptera litura 11.3 cm2
Antifeedant activity against Henosepilachna vigintioctopunctata in Solanum nigrum leaves assessed as mean leaf area fed by dual choice leaf disk bioassay Henosepilachna vigintioctopunctata 34.0 %
Antifeedant activity against Henosepilachna vigintioctopunctata in Solanum nigrum leaves assessed as mean leaf area fed at 1 ug/cm'2 by dual choice leaf disk bioassay (Rvb = 0.75 +/- 0.06 to 0.92 +/- 0.05 cm'2) Henosepilachna vigintioctopunctata 0.52 cm2
Antifeedant activity against Henosepilachna vigintioctopunctata in Solanum nigrum leaves assessed as mean leaf area fed at 5 ug/cm'2 by dual choice leaf disk bioassay (Rvb = 0.74 +/- 0.02 to 0.91 +/- 0.01 cm'2) Henosepilachna vigintioctopunctata 0.32 cm2
Antifeedant activity against Henosepilachna vigintioctopunctata in Solanum nigrum leaves assessed as mean leaf area fed at 10 ug/cm'2 by dual choice leaf disk bioassay (Rvb = 0.78 +/- 0.04 to 0.99 +/- 0.17 cm'2) Henosepilachna vigintioctopunctata 0.15 cm2
Induction of resistance to Blumeria graminis f. sp. hordei isolate W14 infection in Hordeum vulgare cv. Edamai 9 (barley) assessed as upregulation of leaf-specific thionin gene using Contig1570_s_at as probe at 10 mg/l after 8 hr by qRT-PCR analysis relative to untreated control Hordeum vulgare 5.61
Induction of resistance to Blumeria graminis f. sp. hordei isolate W14 infection in Hordeum vulgare cv. Edamai 9 (barley) assessed as upregulation of leaf-specific thionin gene using Contig1567_x_at as probe at 10 mg/l after 8 hr by qRT-PCR analysis relative to untreated control Hordeum vulgare 4.77
Induction of resistance to Blumeria graminis f. sp. hordei isolate W14 infection in Hordeum vulgare cv. Edamai 9 (barley) assessed as downregulation of Pathogenesis-related protein 4 gene using Contig2550_x_at as probe at 10 mg/l after 8 hr by microarray analysis relative to untreated control Hordeum vulgare -2.34
Induction of resistance to Blumeria graminis f. sp. hordei isolate W14 infection in Hordeum vulgare cv. Edamai 9 (barley) assessed as downregulation of Bsi1 protein gene using HD04G07u_s_at as probe at 10 mg/l after 8 hr by microarray analysis relative to untreated control Hordeum vulgare -2.77
Induction of resistance to Blumeria graminis f. sp. hordei isolate W14 infection in Hordeum vulgare cv. Edamai 9 (barley) assessed as downregulation of Oxalate oxidase gene using Contig3017_at as probe at 10 mg/l after 8 hr by microarray analysis relative to untreated control Hordeum vulgare -2.87
Induction of resistance to Blumeria graminis f. sp. hordei isolate W14 infection in Hordeum vulgare cv. Edamai 9 (barley) assessed as downregulation of Pathogenesis-related protein gene using Contig4054_s_at as probe at 10 mg/l after 8 hr by microarray analysis relative to untreated control Hordeum vulgare -2.94
Induction of resistance to Blumeria graminis f. sp. hordei isolate W14 infection in Hordeum vulgare cv. Edamai 9 (barley) assessed as downregulation of Peroxidase gene using HVSMEm0005P05r2_at as probe at 10 mg/l after 8 hr by microarray analysis relative to untreated control Hordeum vulgare -2.96
Induction of resistance to Blumeria graminis f. sp. hordei isolate W14 infection in Hordeum vulgare cv. Edamai 9 (barley) assessed as upregulation of Phytoene synthase E1 gene using Contig13305_at as probe at 10 mg/l after 8 hr by microarray analysis relative to untreated control Hordeum vulgare 2.09
Induction of resistance to Blumeria graminis f. sp. hordei isolate W14 infection in Hordeum vulgare cv. Edamai 9 (barley) assessed as upregulation of Xyloglucan endotransglycosylase-like protein gene using Contig2669_at as probe at 10 mg/l after 8 hr by microarray analysis relative to untreated control Hordeum vulgare 2.44
Induction of resistance to Blumeria graminis f. sp. hordei isolate W14 infection in Hordeum vulgare cv. Edamai 9 (barley) assessed as upregulation of stress-induced gene using Contig3427_at as probe at 10 mg/l after 8 hr by microarray analysis relative to untreated control Hordeum vulgare 2.41
Induction of resistance to Blumeria graminis f. sp. hordei isolate W14 infection in Hordeum vulgare cv. Edamai 9 (barley) assessed as upregulation of stress-induced gene using Contig3426_at as probe at 10 mg/l after 8 hr by microarray analysis relative to untreated control Hordeum vulgare 3.04
Induction of resistance to Blumeria graminis f. sp. hordei isolate W14 infection in Hordeum vulgare cv. Edamai 9 (barley) assessed as upregulation of leaf-specific thionin gene using Contig1582_x_at as probe at 10 mg/l after 8 hr by microarray analysis relative to untreated control Hordeum vulgare 4.26
Induction of resistance to Blumeria graminis f. sp. hordei isolate W14 infection in Hordeum vulgare cv. Edamai 9 (barley) assessed as upregulation of leaf-specific thionin gene using Contig1570_s_at as probe at 10 mg/l after 8 hr by microarray analysis relative to untreated control Hordeum vulgare 4.3
Induction of resistance to Blumeria graminis f. sp. hordei isolate W14 infection in Hordeum vulgare cv. Edamai 9 (barley) assessed as upregulation of leaf-specific thionin gene using Contig1580_x_at as probe at 10 mg/l after 8 hr by microarray analysis relative to untreated control Hordeum vulgare 4.74
Induction of resistance to Blumeria graminis f. sp. hordei isolate W14 infection in Hordeum vulgare cv. Edamai 9 (barley) assessed as upregulation of leaf-specific thionin gene using Contig1567_x_at as probe at 10 mg/l after 8 hr by microarray analysis relative to untreated control Hordeum vulgare 19.91
Induction of systemic resistance to Blumeria graminis f. sp. hordei isolate W14 infection in Hordeum vulgare cv. Edamai 9 (barley) assessed as decrease in colonies on leaf at 10 mg/l up to 216 hr relative to untreated-control Hordeum vulgare None
Induction of localised resistance to Blumeria graminis f. sp. hordei isolate W14 infection in Hordeum vulgare cv. Edamai 9 (barley) assessed as decrease in colonies on leaf at 10 mg/l up to 216 hr relative to untreated-control Hordeum vulgare None
Antifungal activity against Blumeria graminis f. sp. hordei isolate W14 infected barley cv. Edamai 9 assessed as disease index at 10 mg/l after 15 days (Rvb = 76.5%) Blumeria graminis f. sp. hordei 4.4 %
Antifungal activity against Blumeria graminis f. sp. hordei isolate W14 infected barley cv. Edamai 9 assessed as conidial germination at 10 mg/l after 15 days (Rvb = 92.4%) Blumeria graminis f. sp. hordei 4.5 %
Induction of resistance to Blumeria graminis f. sp. hordei isolate W14 infection in Hordeum vulgare cv. Edamai 9 (barley) assessed as upregulation of leaf-specific thionin gene using Contig1576_at as probe at 10 mg/l after 8 hr by microarray analysis relative to untreated control Hordeum vulgare 9.34
Antifungal activity against Blumeria graminis f. sp. hordei isolate W14 assessed as conidial germination at 10 mg/l after 48 hr (Rvb = 47.3%) Blumeria graminis f. sp. hordei 56.6 %

Cross References

Resources Reference
ChEMBL CHEMBL42624
FDA SRS H6PT94IV61
PubChem 10639
SureChEMBL SCHEMBL486155
ZINC ZINC03978794
CONTENTS