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

Compound InformationSONAR Target prediction
Name:

PIMPINELLIN

Unique Identifier:SPE00300013
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:236.136 g/mol
X log p:9.524  (online calculus)
Lipinksi Failures1
TPSA53.99
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:2
Canonical Smiles:COc1c(OC)c2C=CC(=O)Oc2c2ccoc12
Class:coumarin
Source:Heracleum maximum root; mp 118-119 C
Reference:Monatsh 59: 161 (1932); J Org Chem 35: 2294 (1970)
Therapeutics:GABA receptor antagonist, phototoxin

Found: 193 nonactive | as graph: single | with analogs [1] << Back 171 172 173 174 175 176 177 178 179 180  Next >> [193]
Species: 4932
Condition: SPT3
Replicates: 2
Raw OD Value: r im 0.3739±0.0619426
Normalized OD Score: sc h 0.7653±0.0494023
Z-Score: -3.5267±0.665971
p-Value: 0.00115448
Z-Factor: -0.338582
Fitness Defect: 6.7641
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:24|B5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.40 Celcius
Date:2008-02-13 YYYY-MM-DD
Plate CH Control (+):0.040625±0.00054
Plate DMSO Control (-):0.43672500000000003±0.02170
Plate Z-Factor:0.8180
png
ps
pdf

DBLink | Rows returned: 1
4825

internal high similarity DBLink | Rows returned: 2
SPE00300005 0.9179
SPE00300012 0.9640

active | Cluster 15649 | Additional Members: 2 | Rows returned: 1
SPE00300032 0

Service provided by the Mike Tyers Laboratory