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Compound InformationSONAR Target prediction
Name:

15-NORCARYOPHYLLEN-3-ONE

Unique Identifier:SPE00300166
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C14H22O
Molecular Weight:184.149 g/mol
X log p:2.29  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:0
Canonical Smiles:CC1CCC2C(CC2(C)C)C(=O)CCC=1
Source:derivative

Found: 114 nonactive as graph: single | with analogs [1] << Back 101 102 103 104 105 106 107 108 109 110  Next >> [114]
Species: 4932
Condition: BY4741-2nd
Replicates: 2
Raw OD Value: r im 0.9070±0.00940452
Normalized OD Score: sc h 0.9920±0.000957312
Z-Score: 0.7946±0.0661025
p-Value: 0.427366
Z-Factor: -3.13559
Fitness Defect: 0.8501
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:21|G11
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-05-28 YYYY-MM-DD
Plate CH Control (+):0.09699999999999999±0.00126
Plate DMSO Control (-):0.9195000000000001±0.01942
Plate Z-Factor:0.9246
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DBLink | Rows returned: 78<< Back 1 2 3 4 5 6 7 8 9 10  Next >> 
3257327 3-acetyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
3513364 10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthre
n-3-one
3737903 2-(6-methylhept-2-enyl)cyclohexan-1-one
4033896 6,10,10-trimethylbicyclo[7.2.0]undec-5-en-2-one
4087237 17-acetyl-10,13-dimethyl-1,2,4,5,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
4355207 2-[6-methyl-3-(3-methylbutyl)hept-2-enyl]cyclohexan-1-one

internal high similarity DBLink | Rows returned: 4
SPE01800109 0.9167
NRB 03735 0.9429
NRB 03822 0.9429
JFD 02026 0.9459

active | Cluster 8140 | Additional Members: 2 | Rows returned: 1
SPE01500842 0

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