Compound Summary
Agrimek
Compound Information
Agrimek
Compound Name: | Agrimek |
Compound CID: | 6435890 |
Synonyms: | Agrimek Vertimec Affirm Avomec Zephyr More... |
Iupac Name: | (1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-butan-2-yl-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one;(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethyl-2-propan-2-ylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one |
InChI: | InChI=1S/C48H72O14.C47H70O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38;1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3;11-14,16-18,24-25,27,29-30,32-44,48-49,51H,15,19-23H2,1-10H3/b13-12+,27-15+,32-14+;12-11+,26-14+,31-13+/t25?,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+;25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+/m00/s1 |
InChIKey: | IBSREHMXUMOFBB-MVGRHBATSA-N |
Canonical Smiles: | CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C.CC1C=CC=C2COC3C2(C(C=C(C3O)C)C(=O)OC4CC(CC=C(C1OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)O)OC)OC)C)OC7(C4)C=CC(C(O7)C(C)C)C)O |
Isomeric Smiles: | CCC(C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C.C[C@H]1/C=C/C=C/2\CO[C@H]3[C@@]2([C@@H](C=C([C@H]3O)C)C(=O)O[C@H]4C[C@@H](C/C=C(/[C@H]1O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O)OC)OC)\C)O[C@]7(C4)C=C[C@@H]([C@H](O7)C(C)C)C)O |
Molecular Weight: | 1732.1 |
Molecular Formula: | C95H142O28 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Agrimek
Molecular Weight: | 1732.1 |
Molecular Formula: | C95H142O28 |
Hydrogen Bond Donor Count: | 6 |
Hydrogen Bond Acceptor Count: | 28 |
Rotatable Bond Count: | 15 |
Heavy Atom Count: | 123 |
Complexity: | 3430 |
Synonyms
Agrimek
| Agrimek | Agrimek |
|---|---|
Agrimek |
Vertimec |
Affirm |
Avomec |
Zephyr |
Avid |
AVID EC |
Abamectin ANSI:ISO |
MK 936 |
UNII-5U8924T11H |
HSDB 6941 |
5U8924T11H |
MK 0936 |
Abamectin USAN:INN |
SCHEMBL899590 |
SCHEMBL22982036 |
NSC 758202 |
Experimental Data
Agrimek
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Tamarixia triozae | 9.000000000000000 | mg/L | 32.000000000000000 | 17.000000000000000 | -0.470000000000000 | S | MALES | 29529269 | Inactive | ||||
| Tamarixia triozae | 0.030000000000000 | mg/L | 34.000000000000000 | 20.000000000000000 | -0.410000000000000 | S | FEMALES | 29529269 | Inactive | ||||
| Tamarixia triozae | 4.500000000000000 | mg/L | 32.000000000000000 | 37.000000000000000 | 0.160000000000000 | NS | MALES | 29529269 | Inactive | ||||
| Tamarixia triozae | 0.030000000000000 | mg/L | 23.000000000000000 | 16.000000000000000 | -0.300000000000000 | NS | FEMALES | 29529269 | Inactive | ||||
| Tamarixia triozae | 9.000000000000000 | mg/L | 34.000000000000000 | 27.000000000000000 | -0.210000000000000 | NS | FEMALES | 29529269 | Inactive | ||||
| Tamarixia triozae | 0.030000000000000 | mg/L | 27.000000000000000 | 30.000000000000000 | 0.110000000000000 | NS | MALES | 29529269 | Inactive | ||||
| Tamarixia triozae | 0.030000000000000 | mg/L | 33.000000000000000 | 20.000000000000000 | -0.390000000000000 | S | MALES | 29529269 | Inactive | ||||
| Tamarixia triozae | 0.030000000000000 | mg/L | 42.000000000000000 | 26.000000000000000 | -0.380000000000000 | S | FEMALES | 29529269 | Inactive | ||||
| Tamarixia triozae | 0.030000000000000 | mg/L | 32.000000000000000 | 21.000000000000000 | -0.340000000000000 | S | MALES | 29529269 | Inactive | ||||
| Tamarixia triozae | 4.500000000000000 | mg/L | 34.000000000000000 | 25.000000000000000 | -0.260000000000000 | S | FEMALES | 29529269 | Inactive |
Experimental Data Visualization
Agrimek
Statistics Data
Agrimek
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Tamarixia triozae | 0.160000000000000 | 1 | 10 |
Statistics Data Visualization
Agrimek
