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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 61 62 63 64 65 66 67 68 69 70  Next >> [205]
Species: 4932
Condition: PDE1
Replicates: 2
Raw OD Value: r im 0.8454±0.0236174
Normalized OD Score: sc h 1.0235±0.0124145
Z-Score: 0.8412±0.417021
p-Value: 0.420388
Z-Factor: -2.6298
Fitness Defect: 0.8666
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|E9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.90 Celcius
Date:2006-05-11 YYYY-MM-DD
Plate CH Control (+):0.037525±0.00197
Plate DMSO Control (-):0.81585±0.01354
Plate Z-Factor:0.9283
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DBLink | Rows returned: 1448[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [242]
10955 heptacosan-14-one
11027 4-methyl-1-propan-2-yl-bicyclo[3.1.0]hexan-3-one
11038 2,6,6-trimethylnorpinan-3-one
11419 2-methylcyclohexan-1-one
11525 4-methylcyclohexan-1-one
11567 3-methylcyclohexan-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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