MERTENSENE

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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 UIRLQTKDEMKKKG-GXFJTLABSA-N
Smiles C[C@@]1(Cl)C[C@](C)(\C=C\Cl)[C@@H](Cl)C[C@H]1Cl
InChI
InChI=1S/C10H14Cl4/c1-9(3-4-11)6-10(2,14)8(13)5-7(9)12/h3-4,7-8H,5-6H2,1-2H3/b4-3+/t7-,8+,9-,10+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14Cl4
Molecular Weight 276.03
AlogP 3.7
Hydrogen Bond Acceptor 0.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 0.0
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 14.0
Assay Description Organism Bioactivity Reference
Phytotoxicity against Hordeum vulgare (barley) assessed as photosynthetic efficiency in leaf Hordeum vulgare None
Antifeedant activity against adult of Rhopalosiphum padi in barley leaf assessed as noningestion time at 2 ug/cm2 after 2 hr by electronic recording Rhopalosiphum padi 15.0 min
Antifeedant activity against adult of Rhopalosiphum padi in barley leaf assessed as noningestion time at 1 ug/cm2 after 2 hr by electronic recording Rhopalosiphum padi 17.0 min
Antifeedant activity against adult of Rhopalosiphum padi in barley leaf assessed as noningestion time at 10 ug/cm2 after 2 hr by electronic recording Rhopalosiphum padi 15.0 min
Antifeedant activity against adult of Rhopalosiphum padi in barley leaf assessed as salivation time at 2 ug/cm2 after 2 hr by electronic recording Rhopalosiphum padi 48.0 min
Antifeedant activity against adult of Rhopalosiphum padi in barley leaf assessed as salivation time at 1 ug/cm2 after 2 hr by electronic recording Rhopalosiphum padi 40.0 min
Antifeedant activity against adult of Rhopalosiphum padi in barley leaf assessed as salivation time at 10 ug/cm2 after 2 hr by electronic recording Rhopalosiphum padi 45.0 min
Antifeedant activity against adult of Rhopalosiphum padi in barley leaf assessed as ingestion time at 1 ug/cm2 after 2 hr by electronic recording Rhopalosiphum padi 3.0 min
Antifeedant activity against adult of Rhopalosiphum padi in barley leaf assessed as ingestion time at 2 ug/cm2 after 2 hr by electronic recording Rhopalosiphum padi 1.0 min
Antifeedant activity against adult of Rhopalosiphum padi in barley leaf assessed as ingestion time at 10 ug/cm2 after 2 hr by electronic recording Rhopalosiphum padi 0.0 min
Antifeedant activity against L6 larvae of Spodoptera littoralis in Solanum tuberosum by choice test Spodoptera littoralis None
Antifeedant activity against adult of Rhopalosiphum padi in Hordeum vulgare by choice test Rhopalosiphum padi 16.6 nmol/cm2
Antifeedant activity against adult of Myzus persicae (green peach aphid) in Hordeum vulgare by choice test Myzus persicae 150.0 nmol/cm2
Antifeedant activity against adult of Leptinotarsa decemlineata in Capsicum annuum by choice test Leptinotarsa decemlineata 150.0 nmol/cm2

Cross References

Resources Reference
ChEMBL CHEMBL2271709
PubChem 6475608
SureChEMBL SCHEMBL2768066
CONTENTS