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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 111 112 113 114
Species: 4932
Condition: TOR1
Replicates: 2
Raw OD Value: r im 0.9936±0.00176777
Normalized OD Score: sc h 0.9540±0.0085438
Z-Score: -0.0724±0.206773
p-Value: 0.884056
Z-Factor: -2.04996
Fitness Defect: 0.1232
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:2012-09-18 YYYY-MM-DD
Plate CH Control (+):0.000525±0.00300
Plate DMSO Control (-):1.008725±0.02968
Plate Z-Factor:0.8945
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DBLink | Rows returned: 78<< Back 1 2 3 4 5 6 7 8 9 10  Next >> 
641583 (1R,2R,4S,5S)-2,4-dimethylbicyclo[3.2.1]oct-6-en-3-one
641584 (1R,2S,4R,5S)-2,4-dimethylbicyclo[3.2.1]oct-6-en-3-one
643234 1-[(1R,3aS,6aS)-1,2,3,3a,4,6a-hexahydropentalen-1-yl]-2,2-dimethyl-propan-1-one
3015312 cyclodec-4-en-1-one
3034897 5,5-dimethyl-2,3,4,4a,6,7-hexahydro-1H-naphthalene-2-carbaldehyde
3076365 (5R,8S,13R,14S,17S)-17-acetyl-5,13-dimethyl-1,2,4,6,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenan
thren-3-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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