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Compound InformationSONAR Target prediction
Name:

ANGOLENSIN (R)

Unique Identifier:SPE00100616
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:256.169 g/mol
X log p:15.185  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:4
Canonical Smiles:COc1ccc(cc1)C(C)C(=O)c1ccc(O)cc1O
Class:aromatic
Source:Pericopsis and Pterocarpus spp
Reference:J Chem Soc 1959: 2679; 1963: 5573

Found: 16 active | as graph: single | with analogs << Back 11 12 13 14 15 16
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.4276±0.00494975
Normalized OD Score: sc h 0.7885±0.00505101
Z-Score: -5.9182±0.132922
p-Value: 0.00000000378352
Z-Factor: 0.44046
Fitness Defect: 19.3926
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:10|A6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.60 Celcius
Date:2008-06-05 YYYY-MM-DD
Plate CH Control (+):0.040325±0.00085
Plate DMSO Control (-):0.52835±0.01786
Plate Z-Factor:0.9244
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DBLink | Rows returned: 3
821427 (2S)-1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one
821428 (2R)-1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one
3584988 1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 16963 | Additional Members: 14 | Rows returned: 92 Next >> 
LAT017G05 0.517241379310345
LAT015C09 0.490566037735849
LAT017D05 0.454545454545455
LAT016D06 0.444444444444444
LAT016C09 0.363636363636364
LAT016E11 0.306122448979592

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