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

Compound InformationSONAR Target prediction
Name:

ROBUSTIC ACID METHYL ETHER

Unique Identifier:SPE00240660
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C23H22O6
Molecular Weight:372.242 g/mol
X log p:15.454  (online calculus)
Lipinksi Failures1
TPSA63.22
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:4
Canonical Smiles:COc1ccc(cc1)C1C(=O)Oc2cc3OC(C)(C)C=Cc3c(OC)c2C=1OC
Source:ex Derris spp; mp 194--196 C

Found: 503 nonactive | as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [503]
Species: 4932
Condition: BBR_HET_tri_24h
Replicates: 2
Raw OD Value: r im 0.7980±0.0171827
Normalized OD Score: sc h 0.9972±0.0144712
Z-Score: -0.0532±0.608629
p-Value: 0.667372
Z-Factor: -10.8176
Fitness Defect: 0.4044
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|E7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.10 Celcius
Date:2007-04-11 YYYY-MM-DD
Plate CH Control (+):0.041325±0.00176
Plate DMSO Control (-):0.794675±0.01899
Plate Z-Factor:0.9426
png
ps
pdf

DBLink | Rows returned: 1
4262362

internal high similarity DBLink | Rows returned: 1
SPE00240673 0.9040

active | Cluster 12397 | Additional Members: 2 | Rows returned: 1
SPE00240673 0.272727272727273

Service provided by the Mike Tyers Laboratory