BORNEOL

/static/temp/default.svg Search structure
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 DTGKSKDOIYIVQL-WEDXCCLWSA-N
Smiles CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O)C2
InChI
InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18O
Molecular Weight 154.25
AlogP 1.98
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 20.23
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 11.0
Assay Description Organism Bioactivity Reference
Antifungal activity against Colletotrichum gloeosporioides assessed as growth inhibition at 4 uL in 2 mM acetone by direct bioautography Colletotrichum gloeosporioides 0.0 mm
Antifungal activity against Colletotrichum fragariae assessed as growth inhibition at 4 uL in 2 mM acetone by direct bioautography Colletotrichum fragariae 0.0 mm
Antifungal activity against Colletotrichum acutatum assessed as growth inhibition at 4 uL in 2 mM acetone by direct bioautography Colletotrichum acutatum 0.0 mm
Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 mg after 96 hr relative to control Leptinotarsa decemlineata 66.7 %
Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 mg after 48 hr relative to control Leptinotarsa decemlineata 66.7 %
Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 mg after 24 hr relative to control Leptinotarsa decemlineata 20.0 %
Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 mg after 12 hr relative to control Leptinotarsa decemlineata 3.3 %
Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 mg after 96 hr relative to control Leptinotarsa decemlineata 23.3 %
Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 mg after 48 hr relative to control Leptinotarsa decemlineata 13.3 %
Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 mg after 24 hr relative to control Leptinotarsa decemlineata 0.0 %
Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 mg after 12 hr relative to control Leptinotarsa decemlineata 0.0 %
Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 mg after 96 hr (Rvb = 3.3 +/- 3.3%) Leptinotarsa decemlineata 0.0 %
Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 mg after 48 hr (Rvb = 3.3 +/- 3.3%) Leptinotarsa decemlineata 0.0 %
Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 mg after 24 hr relative to control Leptinotarsa decemlineata 0.0 %
Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 mg after 12 hr relative to control Leptinotarsa decemlineata 0.0 %
Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 mg after 96 hr (Rvb = 3.3 +/- 3.3%) Leptinotarsa decemlineata 0.0 %
Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 mg after 48 hr (Rvb = 3.3 +/- 3.3%) Leptinotarsa decemlineata 0.0 %
Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 mg after 24 hr relative to control Leptinotarsa decemlineata 0.0 %
Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 mg after 12 hr relative to control Leptinotarsa decemlineata 0.0 %
Insecticidal activity against second-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 mg after 96 hr (Rvb = 3.3 +/- 3.3%) Leptinotarsa decemlineata 23.3 %
Insecticidal activity against second-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 mg after 48 hr (Rvb = 3.3 +/- 3.3%) Leptinotarsa decemlineata 16.7 %
Insecticidal activity against second-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 mg after 24 hr (Rvb = 3.3 +/- 3.3%) Leptinotarsa decemlineata 0.0 %
Insecticidal activity against second-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 mg after 12 hr relative to control Leptinotarsa decemlineata 0.0 %
Insecticidal activity against second-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 mg after 96 hr (Rvb = 3.3 +/- 3.3%) Leptinotarsa decemlineata 20.0 %
Insecticidal activity against second-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 mg after 48 hr (Rvb = 3.3 +/- 3.3%) Leptinotarsa decemlineata 0.0 %
Insecticidal activity against second-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 mg after 24 hr (Rvb = 3.3 +/- 3.3%) Leptinotarsa decemlineata 0.0 %
Insecticidal activity against second-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 mg after 12 hr relative to control Leptinotarsa decemlineata 0.0 %
Insecticidal activity against first-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 mg after 48 hr relative to control Leptinotarsa decemlineata 0.0 %
Insecticidal activity against first-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 mg after 96 hr relative to control Leptinotarsa decemlineata 16.7 %
Insecticidal activity against first-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 mg after 48 hr relative to control Leptinotarsa decemlineata 6.7 %
Insecticidal activity against first-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 mg after 24 hr relative to control Leptinotarsa decemlineata 0.0 %
Insecticidal activity against first-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 mg after 12 hr relative to control Leptinotarsa decemlineata 0.0 %
Insecticidal activity against first-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 mg after 96 hr relative to control Leptinotarsa decemlineata 13.3 %
Insecticidal activity against first-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 mg after 24 hr relative to control Leptinotarsa decemlineata 0.0 %
Insecticidal activity against first-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 mg after 12 hr relative to control Leptinotarsa decemlineata 0.0 %
Fungicidal activity against Blumeria graminis infected first-leaf stage of barley plant at 500 mg/l applied as spray under green house conditions relative to control Blumeria graminis 0.0 %
Fungicidal activity against Blumeria graminis infected first-leaf stage of barley plant at 1000 mg/l applied as spray under green house conditions relative to control Blumeria graminis 0.0 %
Fungicidal activity against Puccinia recondita infected first leaf stage of wheat plant at 500 mg/l applied as spray after 10 days under green house conditions relative to control Puccinia recondita 0.0 %
Fungicidal activity against Puccinia recondita infected first leaf stage of wheat plant at 1000 mg/l applied as spray after 10 days under green house conditions relative to control Puccinia recondita 0.0 %
Fungicidal activity against Phytophthora infestans infected second leaf-stage of tomato plant at 500 mg/l applied as spray after 4 days under green house conditions relative to control Phytophthora infestans 0.0 %
Fungicidal activity against Phytophthora infestans infected second leaf-stage of tomato plant at 1000 mg/l applied as spray after 4 days under green house conditions relative to control Phytophthora infestans 0.0 %
Fungicidal activity against Botryotinia fuckeliana infected first-leaf stage of cucumber plant at 500 mg/l applied as spray after 4 to 5 days under green house conditions relative to control Botryotinia fuckeliana 0.0 %
Fungicidal activity against Botryotinia fuckeliana infected first-leaf stage of cucumber plant at 1000 mg/l applied as spray after 4 to 5 days under green house conditions relative to control Botryotinia fuckeliana 0.0 %
Fungicidal activity against Rhizoctonia solani infected in third leaf stage of rice plant at 1000 mg/l applied as spray after 5 days under green house conditions relative to control Rhizoctonia solani 0.0 %
Fungicidal activity against Rhizoctonia solani infected in third leaf stage of rice plant at 500 mg/l applied as spray after 5 days under green house conditions relative to control Rhizoctonia solani 0.0 %
Fungicidal activity against Magnaporthe grisea infected second leaf stage of rice plant at 500 mg/l applied as spray after 5 days under green house conditions relative to control Magnaporthe grisea 0.0 %
Fungicidal activity against Magnaporthe grisea infected second leaf stage of rice plant at 1000 mg/l applied as spray after 5 days under green house conditions relative to control Magnaporthe grisea 0.0 %
Induction of growth of Fusarium graminearum after 4 to 12 days Fusarium graminearum None
Antimicrobial activity against Candida albicans ATCC 14053 assessed as growth inhibition after 24 hr by broth microdilution method Candida albicans 900.0 uL/ml
Antimicrobial activity against Pseudomonas aeruginosa ATCC 9027 assessed as growth inhibition after 24 hr by broth microdilution method Pseudomonas aeruginosa 900.0 uL/ml
Antimicrobial activity against Escherichia coli ATCC 8739 assessed as growth inhibition after 24 hr by broth microdilution method Escherichia coli ATCC 8739 900.0 uL/ml
Antimicrobial activity against Staphylococcus epidermidis ATCC 12228 assessed as growth inhibition after 24 hr by broth microdilution method Staphylococcus epidermidis ATCC 12228 900.0 uL/ml
Antimicrobial activity against Staphylococcus aureus ATCC 6538 assessed as growth inhibition after 24 hr by broth microdilution method Staphylococcus aureus 900.0 uL/ml
Antifungal activity against Rhizoctonia solani assessed as mycelial growth inhibition after 4 to 12 days Rhizoctonia solani None
Antifungal activity against Fusarium culmorum assessed as mycelial growth inhibition after 4 to 12 days Fusarium culmorum None
Antifungal activity against Fusarium graminearum assessed as mycelial growth inhibition after 4 to 12 days Fusarium graminearum None
Antifungal activity against Fusarium oxysporum f. sp. lycopersici assessed as mycelial growth inhibition after 4 to 12 days Fusarium oxysporum f. sp. lycopersici None
Antifungal activity against Botryotinia fuckeliana assessed as mycelial growth inhibition after 4 to 12 days Botryotinia fuckeliana None
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 100.0 %
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 27.7 %
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 100.0 %
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 21.1 %
Insecticidal activity against acaricide-susceptible female Tetranychus urticae KST (two-spotted spider mite) in kidney bean assessed as mortality in 3 cm disks measured after 24 hr exposure by vapour-phase mortality bioassay Tetranychus urticae 500.0 microg/cm3

Cross References

Resources Reference
ChEMBL CHEMBL486208
PubChem 6552009
SureChEMBL SCHEMBL56713
ZINC ZINC00968100
CONTENTS