METHYL JASMONATE

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Synonyms
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 GEWDNTWNSAZUDX-PLNGDYQASA-N
Smiles CC\C=C/CC1C(CC(=O)OC)CCC1=O
InChI
InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4-

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H20O3
Molecular Weight 224.3
AlogP 2.36
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 43.37
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 16.0
Assay Description Organism Bioactivity Reference
Antifungal activity against Colletotrichum coccodes infected tomato fruit assessed as suppression in lesion at 41.8 ul/l incubated for 20 min followed by compound wash out measured after 6 days relative to control Colletotrichum coccodes None
Antifungal activity against Colletotrichum coccodes infected tomato fruit assessed as suppression in lesion at 41.8 ul/l inoculated on fruit pretreated with compound for 20 min measured after 9 days relative to control Colletotrichum coccodes 20.0 %
Antifungal activity against Colletotrichum coccodes infected tomato fruit assessed as reduction in spore germination at 100% v/v incubated for 7 days post-inoculation measured 24 hr post-spore inoculation on medium relative to control Colletotrichum coccodes 80.0 %
Induction of Colletotrichum coccodes growth infected tomato fruit assessed as fruit cracking at 100% v/v incubated for 7 days post-inoculation relative to control Colletotrichum coccodes 23.0 %
Antifungal activity against Colletotrichum coccodes infected tomato fruit assessed as decrease in fruit cracking at 100% v/v incubated for 7 days post-inoculation relative to control Colletotrichum coccodes None
Antifungal activity against Colletotrichum coccodes infected tomato fruit assessed as spore germination at 44.8 ul/l inoculated on fruit pre-treated with compound for 7 days followed by 7 days incubation measured 24 hr post spore-inoculation on medium (Rvb = 88.8 +/- 5.19%) Colletotrichum coccodes 55.2 %
Antifungal activity against Colletotrichum coccodes infected tomato fruit assessed as spore production at 44.8 ul/l inoculated on fruit pre-treated with compound for 7 days measured after 9 days (Rvb = 11.2 +/- 4.29 10'5/ml) Colletotrichum coccodes 7.7 10'5/ml
Antifungal activity against Colletotrichum coccodes infected tomato fruit assessed as lesion area at 44.8 ul/l inoculated on fruit pretreated with compound for 7 days measured after 7 days (Rvb = 4.33 +/- 0.6 cm2) Colletotrichum coccodes 4.74 cm2
Antifungal activity against Colletotrichum coccodes infected tomato fruit assessed as spore germination at 44.8 ul/l incubated for 7 days post-inoculation followed by spore inoculation on medium measured after 24 hr (Rvb = 96.5 +/- 2.66%) Colletotrichum coccodes 51.6 %
Antifungal activity against Colletotrichum coccodes infected tomato fruit assessed as spore production at 44.8 ul/l incubated for 9 days post-inoculation (Rvb = 1.6 +/- 0.92 10'5/ml) Colletotrichum coccodes 1.0 10'5/ml
Antifungal activity against Colletotrichum coccodes infected tomato fruit assessed as lesion area at 44.8 ul/l incubated for 7 days post-inoculation (Rvb = 1.64 +/- 0.62 cm2) Colletotrichum coccodes 2.79 cm2
Antifungal activity against Colletotrichum coccodes assessed as spore germination at 44.8 ul/l inoculated on medium pretreated with compound for 24 hr followed by compound wash-out measured after 24 hr (100%) Colletotrichum coccodes 99.0 %
Antifungal activity against Colletotrichum coccodes assessed as spore production at 44.8 ul/l inoculated on medium pretreated with compound for 7 days followed by compound wash-out measured after 9 days (7.7 +/- 4.15 10'5/ml) Colletotrichum coccodes 7.6 10'5/ml
Antifungal activity against Colletotrichum coccodes assessed as colony area at 44.8 ul/l inoculated on medium pretreated with compound for 7 days followed by compound wash-out measured after 7 days (5.98 +/- 0.36 cm2) Colletotrichum coccodes 4.55 cm2
Antifungal activity against Colletotrichum coccodes assessed as spore germination at 44.8 ul/l incubated for 24 hr post-inoculation (Rvb = 100%) Colletotrichum coccodes 99.5 %
Antifungal activity against Colletotrichum coccodes assessed as spore production at 44.8 ul/l incubated for 9 days post-inoculation (Rvb = 7.1 +/- 2.44 10'5/ml) Colletotrichum coccodes 6.9 10'5/ml
Antifungal activity against Colletotrichum coccodes assessed as colony area at 44.8 ul/l incubated for 7 days post-inoculation (Rvb = 9.55 +/- 0.25 cm2) Colletotrichum coccodes 8.18 cm2
Thrips luring activity against female Thrips tabaci (onion thrips) assessed as ratio of thrips in baited traps to unbaited traps during field trapping study Thrips tabaci 0.7
Thrips luring activity against male New Zealand Thrips obscuratus (flower thrips) assessed as ratio of thrips in baited traps to unbaited traps during field trapping study Thrips obscuratus 0.9
Thrips luring activity against female New Zealand Thrips obscuratus (flower thrips) assessed as ratio of thrips in baited traps to unbaited traps during field trapping study Thrips obscuratus 0.8

Cross References

Resources Reference
ChEMBL CHEMBL461150
PubChem 5319693
SureChEMBL SCHEMBL1301883
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