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Compound InformationSONAR Target prediction
Name:

PINOSYLVIN

Unique Identifier:SPE00201066
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C14H12O2
Molecular Weight:200.149 g/mol
X log p:21.077  (online calculus)
Lipinksi Failures1
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:2
Canonical Smiles:Oc1cc(O)cc(C=Cc2ccccc2)c1
Source:ex heartwood of Pinus sylvestris
Reference:J Am Chem Soc 62: 3512 (1940)

Found: 100 nonactive | as graph: single | with analogs [1] << Back 81 82 83 84 85 86 87 88 89 90  Next >> [100]
Species: 4932
Condition: TFP1
Replicates: 2
Raw OD Value: r im 0.7030±0.00502046
Normalized OD Score: sc h 0.9589±0.0121572
Z-Score: -1.7155±0.484169
p-Value: 0.104665
Z-Factor: -3.72126
Fitness Defect: 2.257
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|H5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.50 Celcius
Date:2007-08-31 YYYY-MM-DD
Plate CH Control (+):0.0421±0.00088
Plate DMSO Control (-):0.7059249999999999±0.03291
Plate Z-Factor:0.8435
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DBLink | Rows returned: 2
100754 5-(2-phenylethenyl)benzene-1,3-diol
5280457 5-[(E)-2-phenylethenyl]benzene-1,3-diol

internal high similarity DBLink | Rows returned: 3
LOPAC 01122 0.9250
LOPAC 00461 0.9487
SPE01502223 0.9487

active | Cluster 1910 | Additional Members: 8 | Rows returned: 4
LOPAC 01122 0.447368421052632
SPE01504044 0.394736842105263
Prest619 0
SPE01502223 0

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