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Compound InformationSONAR Target prediction
Name:

DIHYDROROTENONE

Unique Identifier:SPE00201449
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:374.258 g/mol
X log p:9.412  (online calculus)
Lipinksi Failures1
TPSA63.22
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:3
Canonical Smiles:COc1cc2OCC3Oc4c5CC(Oc5ccc4C(=O)C3c2cc1OC)C(C)C
Class:rotenoid
Source:derivative; mp 209-211 C
Reference:Chem Rev 12: 181 (1933)

Found: 30 active | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [30]
Species: 4932
Condition: SPE01502260
Replicates: 2
Raw OD Value: r im 0.0691±0
Normalized OD Score: sc h 0.2034±0
Z-Score: -12.9068±0
p-Value: 4.12122e-38
Z-Factor: 0.837206
Fitness Defect: 86.0821
Bioactivity Statement: Toxic
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|C5
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:0.00 Celcius
Date:2006-08-13 YYYY-MM-DD
Plate CH Control (+):0.04065±0.00109
Plate DMSO Control (-):0.33975±0.01459
Plate Z-Factor:0.8418
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DBLink | Rows returned: 5
73068
243725
4323685
6708575
6998985

internal high similarity DBLink | Rows returned: 6
SPE00201477 0.9286
LOPAC 01192 0.9438
SPE00200013 0.9438
SPE00201153 0.9824
SPE00211231 0.9824
BTB 14028 1.0000

nonactive | Cluster 3220 | Additional Members: 18 | Rows returned: 14<< Back 1 2 3 Next >> 
SPE00201138 0.4375
SPE00200851 0.425
SPE00201153 0.351351351351351
LAT001C04 0.315068493150685
LAT001E04 0
LAT004F05 0

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