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Compound InformationSONAR Target prediction
Name:

SCANDENIN

Unique Identifier:SPE00300348
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C26H26O6
Molecular Weight:408.275 g/mol
X log p:15.059  (online calculus)
Lipinksi Failures1
TPSA44.76
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:4
Canonical Smiles:COc1c(CC=C(C)C)c2OC(C)(C)C=Cc2c2OC(=O)C(=C(O)c12)c1ccc(O)cc1
Source:ex Derris scandens
Reference:Tet Letters 1964: 1209, 2817

Found: 199 nonactive | as graph: single | with analogs [1] << Back 181 182 183 184 185 186 187 188 189 190  Next >> [199]
Species: 4932
Condition: SET2
Replicates: 2
Raw OD Value: r im 0.6938±0.00714178
Normalized OD Score: sc h 0.9606±0.0100028
Z-Score: -2.3117±0.594862
p-Value: 0.0324534
Z-Factor: -1.96034
Fitness Defect: 3.428
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|C10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.70 Celcius
Date:2007-11-15 YYYY-MM-DD
Plate CH Control (+):0.041675±0.00029
Plate DMSO Control (-):0.7147999999999999±0.02013
Plate Z-Factor:0.9078
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 1
SPE00300228 0.9946

active | Cluster 7497 | Additional Members: 7 | Rows returned: 4
SPE00201584 0.527472527472527
SPE00201581 0.463414634146341
SPE00201580 0.180555555555556
SPE00201595 0

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