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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 51 52 53 54 55 56 57 58 59 60  Next >> [313]
Species: 4932
Condition: SPE01503602
Replicates: 2
Raw OD Value: r im 0.0744±0
Normalized OD Score: sc h 0.1084±0
Z-Score: -7.7865±0
p-Value: 0.0000000000000068908
Z-Factor: 0.918311
Fitness Defect: 32.6086
Bioactivity Statement: Toxic
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|F4
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:0.00 Celcius
Date:2006-08-13 YYYY-MM-DD
Plate CH Control (+):0.039±0.00053
Plate DMSO Control (-):0.7244±0.01754
Plate Z-Factor:0.9207
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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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