Compound Summary
UNII-XPA88EAP6V
Compound Information
UNII-XPA88EAP6V
Compound Name: | UNII-XPA88EAP6V |
Compound CID: | 56841558 |
Synonyms: | UNII-XPA88EAP6V XPA88EAP6V Comfortis Natroba NaturaLyte More... |
Iupac Name: | (1S,2S,5R,7S,9S,10S,14R,19S)-15-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-4,14-dimethyl-7-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione;(1S,2R,5S,7R,9R,10S,14R,19S)-15-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-14-methyl-7-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione |
InChI: | InChI=1S/C42H67NO10.C41H65NO10/c1-11-26-13-12-14-35(53-37-16-15-34(43(6)7)24(4)49-37)23(3)38(45)33-20-31-29(32(33)21-36(44)51-26)17-22(2)28-18-27(19-30(28)31)52-42-41(48-10)40(47-9)39(46-8)25(5)50-42;1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h17,20,23-32,34-35,37,39-42H,11-16,18-19,21H2,1-10H3;14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3/t23-,24-,25+,26+,27-,28+,29-,30-,31-,32+,34+,35?,37+,39+,40-,41-,42+;22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34?,36+,38+,39-,40-,41+/m11/s1 |
InChIKey: | JFLRKDZMHNBDQS-GQHNJWLYSA-N |
Canonical Smiles: | CCC1CCCC(C(C(=O)C2=CC3C4CC(CC4C=CC3C2CC(=O)O1)OC5C(C(C(C(O5)C)OC)OC)OC)C)OC6CCC(C(O6)C)N(C)C.CCC1CCCC(C(C(=O)C2=CC3C4CC(CC4C(=CC3C2CC(=O)O1)C)OC5C(C(C(C(O5)C)OC)OC)OC)C)OC6CCC(C(O6)C)N(C)C |
Isomeric Smiles: | CC[C@H]1CCCC([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C.CC[C@H]1CCCC([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C(=C[C@H]3[C@@H]2CC(=O)O1)C)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C |
Molecular Weight: | 1477.9 |
Molecular Formula: | C83H132N2O20 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
UNII-XPA88EAP6V
Molecular Weight: | 1477.9 |
Molecular Formula: | C83H132N2O20 |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 22 |
Rotatable Bond Count: | 18 |
Heavy Atom Count: | 105 |
Complexity: | 2620 |
Synonyms
UNII-XPA88EAP6V
| UNII-XPA88EAP6V | UNII-XPA88EAP6V |
|---|---|
UNII-XPA88EAP6V |
XPA88EAP6V |
Comfortis |
Natroba |
NaturaLyte |
Tracer Naturalyte |
Spinosad ISO |
Spinosad USAN |
XDE 105 |
EC 434-300-1 |
Experimental Data
UNII-XPA88EAP6V
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Ceratitis capitata | 0.100000000000000 | ppm | 24.000000000000000 | 20.800000000000000 | -0.130000000000000 | S | C. capitata | MALES | 29933642 | Inactive | |||
| Trichogramma brassicae | 0.005000000000000 | ug/mL | 6.800000000000000 | 4.280000000000000 | -0.370000000000000 | S | 32448953 | Inactive | |||||
| Ceratitis capitata | 0.400000000000000 | ppm | 28.600000000000000 | 19.000000000000000 | -0.340000000000000 | S | C. capitata | FEMALES | 29933642 | Inactive | |||
| Ceratitis capitata | 0.400000000000000 | ppm | 24.000000000000000 | 16.600000000000000 | -0.310000000000000 | S | C. capitata | MALES | 29933642 | Inactive | |||
| Ceratitis capitata | 0.100000000000000 | ppm | 28.600000000000000 | 23.000000000000000 | -0.200000000000000 | S | C. capitata | FEMALES | 29933642 | Inactive |
Experimental Data Visualization
UNII-XPA88EAP6V
Statistics Data
UNII-XPA88EAP6V
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Ceratitis capitata | -0.130000000000000 | 1 | 4 | |
| Trichogramma brassicae | -0.370000000000000 | 1 | 1 |
Statistics Data Visualization
UNII-XPA88EAP6V
