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Compound InformationSONAR Target prediction
Name:

ISOPIMPINELLIN

Unique Identifier:SPE00300012
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:COc1c2occc2c(OC)c2C=CC(=O)Oc12
Class:coumarin
Source:Hercaleum maximum; mp 150-153 C dimorphic (142-145 C)
Reference:J Chem Soc 1945: 540

Found: 191 nonactive | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [191]
Species: 4932
Condition: BNI1
Replicates: 2
Raw OD Value: r im 0.6891±0.00120208
Normalized OD Score: sc h 0.9833±0.00711615
Z-Score: -0.8296±0.37749
p-Value: 0.42328
Z-Factor: -3.60108
Fitness Defect: 0.8597
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|A3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.20 Celcius
Date:2007-09-14 YYYY-MM-DD
Plate CH Control (+):0.047825±0.01604
Plate DMSO Control (-):0.694225±0.01759
Plate Z-Factor:0.7638
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DBLink | Rows returned: 2
68079
3080647

internal high similarity DBLink | Rows returned: 2
SPE01500400 0.9209
SPE00300013 0.9640

active | Cluster 13255 | Additional Members: 5 | Rows returned: 1
SPE00300546 0

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