Compound Summary
Compound Information
spiromesifen
Compound Name: | spiromesifen |
Compound CID: | 9907412 |
Synonyms: | spiromesifen 283594-90-1 Oberon UNII-N726NTQ5ZC BSN 2060 More... |
Iupac Name: | [2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl] 3,3-dimethylbutanoate |
InChI: | InChI=1S/C23H30O4/c1-14-11-15(2)18(16(3)12-14)19-20(26-17(24)13-22(4,5)6)23(27-21(19)25)9-7-8-10-23/h11-12H,7-10,13H2,1-6H3 |
InChIKey: | GOLXNESZZPUPJE-UHFFFAOYSA-N |
Canonical Smiles: | CC1=CC(=C(C(=C1)C)C2=C(C3(CCCC3)OC2=O)OC(=O)CC(C)(C)C)C |
Isomeric Smiles: | CC1=CC(=C(C(=C1)C)C2=C(C3(CCCC3)OC2=O)OC(=O)CC(C)(C)C)C |
Molecular Weight: | 370.5 |
Molecular Formula: | C23H30O4 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
spiromesifen
Molecular Weight: | 370.5 |
Molecular Formula: | C23H30O4 |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 4 |
Rotatable Bond Count: | 5 |
Heavy Atom Count: | 27 |
Complexity: | 621 |
Synonyms
spiromesifen
| spiromesifen | spiromesifen |
|---|---|
spiromesifen |
283594-90-1 |
Oberon |
UNII-N726NTQ5ZC |
BSN 2060 |
2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro4.4non-3-en-4-yl 3,3-dimethylbutanoate |
N726NTQ5ZC |
CHEBI:38640 |
3-mesityl-2-oxo-1-oxaspiro4.4non-3-en-4-yl 3,3-dimethylbutanoate |
2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro4.4non-3-en-4-yl 3,3-dimethylbutanoate |
Spiromesifen ISO |
Forbid |
HSDB 7882 |
DSSTox_CID_14929 |
DSSTox_RID_79222 |
DSSTox_GSID_34929 |
SCHEMBL25068 |
CHEMBL2227838 |
DTXSID1034929 |
Tox21_301233 |
ZINC35874305 |
NCGC00255433-01 |
Spiromesifen 10 microg/mL in Cyclohexane |
CAS-283594-90-1 |
C18488 |
31434-EP2274983A1 |
31434-EP2275422A1 |
31434-EP2308858A1 |
31434-EP2311816A1 |
31434-EP2311817A1 |
Spiromesifen, PESTANAL(R), analytical standard |
J-017051 |
Q1315183 |
3-(2,4,6-trimethylphenyl)-4-(3,3-dimethylbutylcarbonyloxy)-5-spirocyclo-pentyl-3-dihydrofuranon-2 |
BAY BSN 2060; Oberon; 3-Mesityl-2-oxo-1-oxaspiro4.4non-3-en-4-yl 3,3-dimethylbutanoate |
Pesticide7_Spiromesifen_C23H30O4_2-Oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro4.4non-3-en-4-yl 3,3-dimethylbutanoate |
Experimental Data
spiromesifen
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Drosophila melanogaster | 7.5 | ug/g | NS | Canton-S | MALES | 33493665 | Inactive | ||||||
| Drosophila melanogaster | 5 | ug/g | NS | Canton-S | MALES | 33493665 | Inactive | ||||||
| Drosophila melanogaster | 2.5 | ug/g | NS | Canton-S | MALES | 33493665 | Inactive | ||||||
| Drosophila melanogaster | 10 | ug/g | 84 | 63 | -0.25 | S | Canton-S | MALES | 33493665 | Inactive | |||
| Drosophila melanogaster | 1 | ug/g | 84 | 70 | -0.17 | S | Canton-S | MALES | 33493665 | Inactive |
Experimental Data Visualization
spiromesifen
Statistics Data
spiromesifen
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Drosophila melanogaster | -0.17 | 1 | 5 |
Statistics Data Visualization
spiromesifen
