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Compound InformationSONAR Target prediction
Name:

ROTENONIC ACID

Unique Identifier:SPE00200851
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:374.258 g/mol
X log p:11.373  (online calculus)
Lipinksi Failures1
TPSA53.99
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:4
Canonical Smiles:COc1cc2OCC3Oc4c(CC=C(C)C)c(O)ccc4C(=O)C3c2cc1OC
Class:rotenoid
Source:derivative of rotenone (00200013)
Reference:Chem Rev 12: 181 (1933); Phytochemistry 21: 949 (1982)

Found: 186 nonactive | as graph: single | with analogs [1] << Back 151 152 153 154 155 156 157 158 159 160  Next >> [186]
Species: 4932
Condition: PMR1
Replicates: 2
Raw OD Value: r im 0.5708±0.00417193
Normalized OD Score: sc h 0.9885±0.00811143
Z-Score: -0.5383±0.366785
p-Value: 0.602712
Z-Factor: -9.59548
Fitness Defect: 0.5063
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:14|E8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.30 Celcius
Date:2008-07-04 YYYY-MM-DD
Plate CH Control (+):0.041925000000000004±0.00078
Plate DMSO Control (-):0.559275±0.01530
Plate Z-Factor:0.9099
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DBLink | Rows returned: 4
4303568
4372244
6708539
6708557

internal high similarity DBLink | Rows returned: 1
SPE00240590 1.0000

active | Cluster 3220 | Additional Members: 18 | Rows returned: 91 2 Next >> 
SPE00203010 0.535714285714286
SPE00201477 0.513513513513513
SPE00211224 0.482352941176471
SPE00201138 0.4375
LAT001C04 0.315068493150685
SPE00201449 0.315068493150685

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