3-EPICARYOPTIN

/static/temp/default.svg Search structure
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 QVORLEZTALRJNW-WBTQUOTHSA-N
Smiles C[C@@H]1C[C@H](OC(=O)C)[C@]2(COC(=O)C)[C@H](CC[C@H](OC(=O)C)[C@]23CO3)[C@@]1(C)[C@@H]4C[C@H]5C=CO[C@H]5O4
InChI
InChI=1S/C26H36O9/c1-14-10-22(34-17(4)29)25(12-31-15(2)27)19(6-7-20(33-16(3)28)26(25)13-32-26)24(14,5)21-11-18-8-9-30-23(18)35-21/h8-9,14,18-23H,6-7,10-13H2,1-5H3/t14-,18-,19-,20+,21+,22+,23+,24+,25+,26-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H36O9
Molecular Weight 492.56
AlogP 1.11
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 8.0
Polar Surface Area 109.89
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 35.0
Assay Description Organism Bioactivity Reference
Pharmacophagous feeding stimulant activity in Athalia rosae ruficornis assessed as insect fed on paper for more than 10 seconds at 10'-5 g/filter paper Athalia rosae ruficornis 80.0 %
Pharmacophagous feeding stimulant activity in Athalia rosae ruficornis assessed as insect fed on paper for more than 10 seconds at 10'-6 g/filter paper Athalia rosae ruficornis 80.0 %
Pharmacophagous feeding stimulant activity in Athalia rosae ruficornis assessed as insect fed on paper for more than 10 seconds at 10'-7 g/filter paper Athalia rosae ruficornis 80.0 %
Pharmacophagous feeding stimulant activity in Athalia rosae ruficornis assessed as insect fed on paper for more than 10 seconds at 10'-8 g/filter paper Athalia rosae ruficornis 80.0 %
Antifeedant activity against adults of Henosepilachna vigintioctopunctata at 0.05 mg/cm'2 after 4 hr Henosepilachna vigintioctopunctata 31.07 %
Antifeedant activity against adults of Henosepilachna vigintioctopunctata at 0.5 mg/cm'2 after 4 hr Henosepilachna vigintioctopunctata 37.02 %
Antifeedant activity against adults of Henosepilachna vigintioctopunctata at 5 mg/cm'2 after 4 hr Henosepilachna vigintioctopunctata 31.93 %
Antifeedant activity against fourth-instar nymphs of Henosepilachna vigintioctopunctata at 0.05 mg/cm'2 after 4 hr Henosepilachna vigintioctopunctata 16.12 %
Antifeedant activity against fourth-instar nymphs of Henosepilachna vigintioctopunctata at 5 mg/cm'2 after 4 hr Henosepilachna vigintioctopunctata 23.56 %
Antifeedant activity against fourth-instar nymphs of Henosepilachna vigintioctopunctata at 0.5 mg/cm'2 after 4 hr Henosepilachna vigintioctopunctata 9.37 %
Antifeedant activity against Spodoptera littoralis assessed as decrease in diet consumption at 200 ppm after 2 hr by leaf disk assay relative to control Spodoptera littoralis 100.0 %
Insecticidal activity against female adult Spodoptera litura in compound-treated castor leaves assessed as adult longevity time at 5 ug/cm2 (Rvb = 10 +/- 0.63 days) Spodoptera litura 7.2 day
Insecticidal activity against female adult Spodoptera litura in compound-treated castor leaves assessed as adult longevity time at 10 ug/cm2 (Rvb = 10 +/- 0.63 days) Spodoptera litura 6.0 day
Insecticidal activity against male adult Spodoptera litura in compound-treated castor leaves assessed as adult longevity time at 5 ug/cm2 (Rvb = 9.4 +/- 0.48 days) Spodoptera litura 7.4 day
Insecticidal activity against male adult Spodoptera litura in compound-treated castor leaves assessed as adult longevity time at 10 ug/cm2 (Rvb = 9.4 +/- 0.48 days) Spodoptera litura 6.4 day
Insecticidal activity against adult Spodoptera litura in compound-treated castor leaves assessed as adult deformity at 5 ug/cm2 relative to control Spodoptera litura 8.8 %
Insecticidal activity against adult Spodoptera litura in compound-treated castor leaves assessed as adult deformity at 10 ug/cm2 relative to control Spodoptera litura 12.8 %
Insecticidal activity against adult Spodoptera litura in compound-treated castor leaves assessed as adult emergence at 5 ug/cm2 relative to control Spodoptera litura 64.8 %
Insecticidal activity against adult Spodoptera litura in compound-treated castor leaves assessed as adult emergence at 10 ug/cm2 relative to control Spodoptera litura 56.8 %
Insecticidal activity against pupal stage of Spodoptera litura in compound-treated castor leaves assessed as pupal mortality at 5 ug/cm2 relative to control Spodoptera litura 26.5 %
Insecticidal activity against pupal stage of Spodoptera litura in compound-treated castor leaves assessed as pupal mortality at 10 ug/cm2 relative to control Spodoptera litura 30.0 %
Insecticidal activity against pupal stage of Spodoptera litura in compound-treated castor leaves assessed as pupal weight at 5 ug/cm2 (Rvb = 302.4 +/- 5.9 mg) Spodoptera litura 261.6 mg
Insecticidal activity against pupal stage of Spodoptera litura in compound-treated castor leaves assessed as pupal weight at 10 ug/cm2 (Rvb = 302.4 +/- 5.9 mg) Spodoptera litura 250.2 mg
Insecticidal activity against pupal stage of Spodoptera litura in compound-treated castor leaves assessed as pupal duration time at 5 ug/cm2 (Rvb = 9.2 +/- 0.74 days) Spodoptera litura 11.0 day
Insecticidal activity against pupal stage of Spodoptera litura in compound-treated castor leaves assessed as pupal duration time at 10 ug/cm2 (Rvb = 9.2 +/- 0.74 days) Spodoptera litura 11.8 day
Insecticidal activity against third-instar larval stage of Spodoptera litura in compound-treated castor leaves assessed as larval mortality at 5 ug/cm2 relative to control Spodoptera litura 24.0 %
Insecticidal activity against third-instar larval stage of Spodoptera litura in compound-treated castor leaves assessed as larval mortality at 10 ug/cm2 relative to control Spodoptera litura 36.0 %
Insecticidal activity against third-instar larval stage of Spodoptera litura in compound-treated castor leaves assessed as total larval duration time at 5 ug/cm2 (Rvb = 12.4 +/- 0.48 days) Spodoptera litura 14.0 day
Insecticidal activity against third-instar larval stage of Spodoptera litura in compound-treated castor leaves assessed as total larval duration time at 10 ug/cm2 (Rvb = 12.4 +/- 0.48 days) Spodoptera litura 14.5 day
Insecticidal activity against female adult Earias vitella assessed as adult longevity time at 5 ug/cm3 administered through artificial diet containing Abelmoschus esculentus seed powder (Rvb = 8.6 +/- 0.48 days) Earias vitella 6.2 day
Insecticidal activity against female adult Earias vitella assessed as adult longevity time at 10 ug/cm3 administered through artificial diet containing Abelmoschus esculentus seed powder (Rvb = 8.6 +/- 0.48 days) Earias vitella 5.8 day
Insecticidal activity against male adult Earias vitella assessed as adult longevity time at 5 ug/cm3 administered through artificial diet containing Abelmoschus esculentus seed powder (Rvb = 8.2 +/- 0.4 days) Earias vitella 5.8 day
Insecticidal activity against male adult Earias vitella assessed as adult longevity time at 10 ug/cm3 administered through artificial diet containing Abelmoschus esculentus seed powder (Rvb = 8.2 +/- 0.4 days) Earias vitella 5.6 day
Insecticidal activity against adult Earias vitella assessed as adult deformity at 10 ug/cm3 administered through artificial diet containing Abelmoschus esculentus seed powder (Rvb = 4%) Earias vitella 8.0 %
Insecticidal activity against adult Earias vitella assessed as adult deformity at 5 ug/cm3 administered through artificial diet containing Abelmoschus esculentus seed powder (Rvb = 4%) Earias vitella 8.0 %
Insecticidal activity against adult Earias vitella assessed as adult emergence at 5 ug/cm3 administered through artificial diet containing Abelmoschus esculentus seed powder (Rvb = 88%) Earias vitella 60.4 %
Insecticidal activity against adult Earias vitella assessed as adult emergence at 10 ug/cm3 administered through artificial diet containing Abelmoschus esculentus seed powder (Rvb = 88%) Earias vitella 52.0 %
Insecticidal activity against pupal stage of Earias vitella assessed as pupal mortality at 5 ug/cm3 administered through artificial diet containing Abelmoschus esculentus seed powder (Rvb = 8%) Earias vitella 30.0 %
Insecticidal activity against pupal stage of Earias vitella assessed as pupal mortality at 10 ug/cm3 administered through artificial diet containing Abelmoschus esculentus seed powder (Rvb = 8%) Earias vitella 40.0 %
Insecticidal activity against pupal stage of Earias vitella assessed as pupal weight at 5 ug/cm3 administered through artificial diet containing Abelmoschus esculentus seed powder (Rvb = 88.2 +/- 4.01 mg) Earias vitella 57.4 mg
Insecticidal activity against pupal stage of Earias vitella assessed as pupal weight at 10 ug/cm3 administered through artificial diet containing Abelmoschus esculentus seed powder (Rvb = 88.2 +/- 4.01 mg) Earias vitella 53.2 mg
Insecticidal activity against pupal stage of Earias vitella assessed as pupal duration time at 5 ug/cm3 administered through artificial diet containing Abelmoschus esculentus seed powder (Rvb = 6.4 +/- 0.21 days) Earias vitella 8.8 day
Insecticidal activity against pupal stage of Earias vitella assessed as pupal duration time at 10 ug/cm3 administered through artificial diet containing Abelmoschus esculentus seed powder (Rvb = 6.4 +/- 0.21 days) Earias vitella 10.2 day
Insecticidal activity against third-instar larval stage of Earias vitella assessed as larval mortality at 10 ug/cm3 administered through artificial diet containing Abelmoschus esculentus seed powder (Rvb = 4%) Earias vitella 12.0 %
Insecticidal activity against third-instar larval stage of Earias vitella assessed as larval mortality at 5 ug/cm3 administered through artificial diet containing Abelmoschus esculentus seed powder (Rvb = 4%) Earias vitella 8.0 %
Insecticidal activity against third-instar larval stage of Earias vitella assessed as total larval duration time at 5 ug/cm3 administered through artificial diet containing Abelmoschus esculentus seed powder (Rvb = 8.2 +/- 0.48 days) Earias vitella 10.0 day
Insecticidal activity against third-instar larval stage of Earias vitella assessed as total larval duration time at 10 ug/cm3 administered through artificial diet containing Abelmoschus esculentus seed powder (Rvb = 8.2 +/- 0.48 days) Earias vitella 10.3 day
Antifeedant activity against third-instar larval stage of Spodoptera litura in compound-treated castor leaves assessed as decrease in diet consumption at 5 ug/cm2 after 24 hr by no-choice leaf disk assay relative to acetone-treated control Spodoptera litura 73.4 %
Antifeedant activity against third-instar larval stage of Spodoptera litura in compound-treated castor leaves assessed as decrease in diet consumption at 10 ug/cm2 after 24 hr by no-choice leaf disk assay relative to acetone-treated control Spodoptera litura 82.6 %
Antifeedant activity against third-instar larval stage of Earias vitella assessed as decrease in diet consumption at 5 ug/cm3 administered through artificial diet containing Abelmoschus esculentus seed powder after 24 hr relative to acetone-treated control Earias vitella 73.0 %
Antifeedant activity against third-instar larval stage of Earias vitella assessed as decrease in diet consumption at 10 ug/cm3 administered through artificial diet containing Abelmoschus esculentus seed powder after 24 hr relative to acetone-treated control Earias vitella 79.76 %

Cross References

Resources Reference
ChEMBL CHEMBL2269693
PubChem 70697894
CONTENTS