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

Compound InformationSONAR Target prediction
Name:

IMPERATORIN

Unique Identifier:SPE00102076
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:256.169 g/mol
X log p:13.312  (online calculus)
Lipinksi Failures1
TPSA44.76
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:3
Canonical Smiles:CC(C)=CCOc1c2occc2cc2C=CC(=O)Oc12
Class:coumarin
Source:Angelica & other Umbelliferaceae.
Reference:Ber 66: 1137 (1933); Ghana J Sci 10: 82 (1970)
Therapeutics:anticonvulsant, antiinflammatory

Found: 66 nonactive | as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [66]
Species: 4932
Condition: IRE1
Replicates: 2
Raw OD Value: r im 0.7840±0.0169706
Normalized OD Score: sc h 0.9748±0.0110392
Z-Score: -0.6860±0.281234
p-Value: 0.501216
Z-Factor: -2.94022
Fitness Defect: 0.6907
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:15|B10
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.0995±0.00698
Plate DMSO Control (-):0.94575±0.01640
Plate Z-Factor:0.9371
png
ps
pdf

DBLink | Rows returned: 1
10212

internal high similarity DBLink | Rows returned: 1
SPE01500400 0.9412

active | Cluster 12807 | Additional Members: 6 | Rows returned: 3
SPE00300005 0.474576271186441
LAT001C03 0.305084745762712
SPE01500400 0

Service provided by the Mike Tyers Laboratory