BETA-PINENE

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Synonyms
Molecule Category Free-form
UNII 4MS8VHZ1HJ
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 WTARULDDTDQWMU-UHFFFAOYSA-N
Smiles CC1(C)C2CCC(=C)C1C2
InChI
InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16
Molecular Weight 136.23
AlogP 2.93
Hydrogen Bond Acceptor 0.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 0.0
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 10.0
Assay Description Organism Bioactivity Reference
Antifungal activity against Colletotrichum gloeosporioides assessed as size of growth inhibitory zone at concentration of 2 mM in volume of 4 ul of acetone measured after 4 days by TLC based direct bioautography assay Colletotrichum gloeosporioides 0.0 mm
Antifungal activity against Colletotrichum fragariae assessed as size of growth inhibitory zone at concentration of 2 mM in volume of 4 ul of acetone measured after 4 days by TLC based direct bioautography assay Colletotrichum fragariae 0.0 mm
Antifungal activity against Colletotrichum acutatum assessed as size of growth inhibitory zone at concentration of 2 mM in volume of 4 ul of acetone measured after 4 days by TLC based direct bioautography assay Colletotrichum acutatum 0.0 mm
Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 ul after 96 hr relative to control Leptinotarsa decemlineata 100.0 %
Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 ul after 48 hr relative to control Leptinotarsa decemlineata 100.0 %
Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 ul after 24 hr relative to control Leptinotarsa decemlineata 96.7 %
Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 ul after 12 hr relative to control Leptinotarsa decemlineata 80.0 %
Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 ul after 96 hr relative to control Leptinotarsa decemlineata 100.0 %
Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 ul after 48 hr relative to control Leptinotarsa decemlineata 100.0 %
Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 ul after 24 hr relative to control Leptinotarsa decemlineata 100.0 %
Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 ul after 12 hr relative to control Leptinotarsa decemlineata 100.0 %
Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 ul after 96 hr (Rvb = 3.3 +/- 3.3%) Leptinotarsa decemlineata 100.0 %
Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 ul after 48 hr (Rvb = 3.3 +/- 3.3%) Leptinotarsa decemlineata 100.0 %
Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 ul after 24 hr relative to control Leptinotarsa decemlineata 100.0 %
Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 ul after 12 hr relative to control Leptinotarsa decemlineata 100.0 %
Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 ul after 96 hr (Rvb = 3.3 +/- 3.3%) Leptinotarsa decemlineata 100.0 %
Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 ul after 48 hr (Rvb = 3.3 +/- 3.3%) Leptinotarsa decemlineata 100.0 %
Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 ul after 24 hr relative to control Leptinotarsa decemlineata 83.3 %
Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 ul after 12 hr relative to control Leptinotarsa decemlineata 80.0 %
Insecticidal activity against second-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 ul after 96 hr (Rvb = 3.3 +/- 3.3%) Leptinotarsa decemlineata 86.7 %
Insecticidal activity against second-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 ul after 48 hr (Rvb = 3.3 +/- 3.3%) Leptinotarsa decemlineata 80.0 %
Insecticidal activity against second-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 ul after 24 hr (Rvb = 3.3 +/- 3.3%) Leptinotarsa decemlineata 70.0 %
Insecticidal activity against second-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 ul after 12 hr relative to control Leptinotarsa decemlineata 20.0 %
Insecticidal activity against second-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 ul after 96 hr (Rvb = 3.3 +/- 3.3%) Leptinotarsa decemlineata 100.0 %
Insecticidal activity against second-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 ul after 48 hr (Rvb = 3.3 +/- 3.3%) Leptinotarsa decemlineata 90.0 %
Insecticidal activity against second-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 ul after 24 hr (Rvb = 3.3 +/- 3.3%) Leptinotarsa decemlineata 76.7 %
Insecticidal activity against second-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 ul after 12 hr relative to control Leptinotarsa decemlineata 56.7 %
Insecticidal activity against first-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 ul after 96 hr relative to control Leptinotarsa decemlineata 100.0 %
Insecticidal activity against first-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 ul after 48 hr relative to control Leptinotarsa decemlineata 100.0 %
Insecticidal activity against first-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 ul after 24 hr relative to control Leptinotarsa decemlineata 100.0 %
Insecticidal activity against first-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 ul after 12 hr relative to control Leptinotarsa decemlineata 66.7 %
Insecticidal activity against first-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 ul after 96 hr relative to control Leptinotarsa decemlineata 100.0 %
Insecticidal activity against first-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 ul after 48 hr relative to control Leptinotarsa decemlineata 96.7 %
Insecticidal activity against first-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 ul after 12 hr relative to control Leptinotarsa decemlineata 43.3 %
Insecticidal activity against first-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 ul after 24 hr relative to control Leptinotarsa decemlineata 66.7 %
Antimicrobial activity against Corticium sp. assessed as inhibition of mycelial growth on potato dextrose agar at 1000 ppm at 27 degC measured after 4 days Corticium 16.3 %
Antimicrobial activity against Corticium sp. assessed as inhibition of mycelial growth on potato dextrose agar at 100 ppm at 27 degC measured after 4 days Corticium 1.2 %
Antimicrobial activity against Pythium sp. assessed as inhibition of mycelial growth on potato dextrose agar at 1000 ppm at 27 degC measured after 4 days Pythium 2.2 %
Antimicrobial activity against Pythium sp. assessed as inhibition of mycelial growth on potato dextrose agar at 100 ppm at 27 degC measured after 4 days Pythium 0.0 %

Cross References

Resources Reference
ChEMBL CHEMBL501351
FDA SRS 4MS8VHZ1HJ
PubChem 14896
SureChEMBL SCHEMBL13300
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