Home | Screening data | Screen comparisons | Search for compounds | Structure search

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: 8 active | as graph: single | with analogs << Back 1 2 3 4 5 6 7 8 Next >> 
Species: 4932
Condition: HSC82
Replicates: 2
Raw OD Value: r im 0.8145±0.00438406
Normalized OD Score: sc h 1.1129±0.016445
Z-Score: 6.2604±0.524786
p-Value: 0.00000000195615
Z-Factor: 0.217417
Fitness Defect: 20.0523
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:14|E8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.30 Celcius
Date:2008-04-29 YYYY-MM-DD
Plate CH Control (+):0.040175±0.00163
Plate DMSO Control (-):0.7135499999999999±0.00913
Plate Z-Factor:0.9462
png
ps
pdf

DBLink | Rows returned: 4
4303568
4372244
6708539
6708557

internal high similarity DBLink | Rows returned: 1
SPE00240590 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

Service provided by the Mike Tyers Laboratory