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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: BY4741-2nd
Replicates: 2
Raw OD Value: r im 0.8281±0.000919239
Normalized OD Score: sc h 0.9873±0.00747082
Z-Score: 0.8178±0.266585
p-Value: 0.421714
Z-Factor: -2.87152
Fitness Defect: 0.8634
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|E9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.00 Celcius
Date:2006-04-05 YYYY-MM-DD
Plate CH Control (+):0.038075±0.00095
Plate DMSO Control (-):0.793±0.02050
Plate Z-Factor:0.8859
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DBLink | Rows returned: 1448[1] << Back 231 232 233 234 235 236 237 238 239 240  Next >> [242]
7319605 (2S)-2-(1-adamantyl)pentan-3-one
7319606 (2R)-2-(1-adamantyl)pentan-3-one
7319611 (4S)-4-(1-adamantyl)nonan-5-one
7567380 (3R)-3-ethylcyclopentan-1-one
9543187 (1R)-1,7,7-trimethylnorbornan-2-one
11075070 4-nonylcyclohexan-1-one

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
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