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: 186 nonactive | as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [186]
Species: 4932
Condition: BRE1
Replicates: 2
Raw OD Value: r im 0.6944±0.00403051
Normalized OD Score: sc h 0.9857±0.00174861
Z-Score: -0.5804±0.0660033
p-Value: 0.562096
Z-Factor: -3.01265
Fitness Defect: 0.5761
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|H3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.80 Celcius
Date:2006-03-16 YYYY-MM-DD
Plate CH Control (+):0.039474999999999996±0.00197
Plate DMSO Control (-):0.6869000000000001±0.01425
Plate Z-Factor:0.9164
png
ps
pdf

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

Service provided by the Mike Tyers Laboratory