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 61 62 63 64 65 66 67 68 69 70  Next >> [186]
Species: 4932
Condition: RAD50
Replicates: 2
Raw OD Value: r im 0.6251±0.0150614
Normalized OD Score: sc h 0.9230±0.0121092
Z-Score: -3.0488±0.425247
p-Value: 0.00340136
Z-Factor: -1.03374
Fitness Defect: 5.6836
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|H3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.00 Celcius
Date:2007-09-07 YYYY-MM-DD
Plate CH Control (+):0.041550000000000004±0.00879
Plate DMSO Control (-):0.6425000000000001±0.02994
Plate Z-Factor:0.7502
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