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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] << Back 21 22 23 24 25 26 27 28 29 30 Next >> [30]
Species: 4932
Condition: SPE01501176
Replicates: 2
Raw OD Value: r im 0.0889±0.00502046
Normalized OD Score: sc h 0.1512±0.0117754
Z-Score: -10.5154±0.0773268
p-Value: 8.59038e-26
Z-Factor: -3.87755
Fitness Defect: 57.7166
Bioactivity Statement: Toxic
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|C5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2007-01-11 YYYY-MM-DD
Plate CH Control (+):0.23620000000000002±0.00969
Plate DMSO Control (-):0.60695±1.73718
Plate Z-Factor:0.4979
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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: 141 2 3 Next >> 
SPE00203010 0.535714285714286
SPE00201477 0.513513513513513
SPE00211231 0.511904761904762
SPE00200015 0.48780487804878
SPE00211224 0.482352941176471
SPE00240590 0.444444444444444

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