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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: 313 active | as graph: single | with analogs [1] << Back 301 302 303 304 305 306 307 308 309 310  Next >> [313]
Species: 4932
Condition: PAC10
Replicates: 2
Raw OD Value: r im 0.9343±0.454104
Normalized OD Score: sc h 1.2588±0.580083
Z-Score: 7.2756±15.9319
p-Value: 0.0000330418
Z-Factor: -5.89488
Fitness Defect: 10.3177
Bioactivity Statement: Outlier
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|C10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.90 Celcius
Date:2006-03-14 YYYY-MM-DD
Plate CH Control (+):0.039349999999999996±0.00140
Plate DMSO Control (-):0.7744249999999999±0.02422
Plate Z-Factor:0.9035
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 1
SPE00300228 0.9946

nonactive | Cluster 7497 | Additional Members: 7 | Rows returned: 6
SPE00201355 0.59493670886076
SPE00211566 0.557894736842105
SPE00201584 0.527472527472527
SPE00201581 0.463414634146341
SPE00201580 0.180555555555556
SPE00201595 0

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