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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 181 182 183 184 185 186 187 188 189 190  Next >> [205]
Species: 4932
Condition: TPK1
Replicates: 2
Raw OD Value: r im 0.6539±0.01492
Normalized OD Score: sc h 0.9608±0.0167188
Z-Score: -1.8939±0.844924
p-Value: 0.10378
Z-Factor: -2.01059
Fitness Defect: 2.2655
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:11|B2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.80 Celcius
Date:2008-04-25 YYYY-MM-DD
Plate CH Control (+):0.04025±0.00035
Plate DMSO Control (-):0.665025±0.01602
Plate Z-Factor:0.9279
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DBLink | Rows returned: 1448[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [242]
13561 undecan-6-one
13572 6-methylheptan-2-one
13576 decan-3-one
14525 1,3,3-trimethylnorbornan-2-one
14862 8-methylnonanal
14911 3,4,5-trimethylnonan-2-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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