Home | Screening data | Screen comparisons | Search for compounds | Structure search

Compound InformationSONAR Target prediction
Name:

MENTHONE

Unique Identifier:SPE00300564
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:136.106 g/mol
X log p:-0.199  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:1
Canonical Smiles:CC(C)C1CCC(C)CC1=O
Class:terpene
Source:pennyroyal and peppermint oils
Reference:J Org Chem 25: 1434 (1960)
Generic_name:5ALPHA-ANDROSTAN-3,17-DIONE
Chemical_iupac_name:5ALPHA-ANDROSTAN-3,17-DIONE
Drug_type:Experimental
Drugbank_id:EXPT00262
Drug_category:Estradiol 17 Beta-Dehydrogenase 1 inhibitor
Organisms_affected:-1

Found: 205 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [205]
Species: 4932
Condition: CDC73
Replicates: 2
Raw OD Value: r im 0.4737±0.0352139
Normalized OD Score: sc h 1.0136±0.00725667
Z-Score: 0.3491±0.201089
p-Value: 0.729664
Z-Factor: -10.2826
Fitness Defect: 0.3152
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|E9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.60 Celcius
Date:2007-09-19 YYYY-MM-DD
Plate CH Control (+):0.04035±0.00050
Plate DMSO Control (-):0.45255±0.04620
Plate Z-Factor:0.6153
png
ps
pdf

DBLink | Rows returned: 1448[1] << Back 171 172 173 174 175 176 177 178 179 180  Next >> [242]
1810797 (6S,10S)-6,10,14-trimethylpentadecan-2-one
1870254 (4S)-4-(2-cyclohexylpropan-2-yl)cycloheptan-1-one
1870256 (4R)-4-(2-cyclohexylpropan-2-yl)cycloheptan-1-one
1988113 n/a
2054348 (1R,5S)-7-methylbicyclo[3.3.1]nonan-3-one
2054480 -1

internal high similarity DBLink | Rows returned: 171 2 3 Next >> 
RJC 02257 0.9231
RJC 02979 0.9231
JFD 02406 0.9231
BTBG 00073 0.9231
BTB 14425 0.9231
BTB 13696 0.9231

active | Cluster 10481 | Additional Members: 1 | Rows returned: 0
Service provided by the Mike Tyers Laboratory