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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 191 192 193 194 195 196 197 198 199 200  Next >> [205]
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.5439±0.0201525
Normalized OD Score: sc h 1.0597±0.0245154
Z-Score: 1.4193±0.0505037
p-Value: 0.156075
Z-Factor: -1.87708
Fitness Defect: 1.8574
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:11|B2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.60 Celcius
Date:2008-06-05 YYYY-MM-DD
Plate CH Control (+):0.041475±0.00051
Plate DMSO Control (-):0.53635±0.01000
Plate Z-Factor:0.9432
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DBLink | Rows returned: 1448[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [242]
28965 5-methylheptan-2-one
29251 hexadecan-2-one
29381 2-methyldecanal
29561 3,3-dimethyl-1,5-ditert-butyl-bicyclo[3.1.0]hexan-4-one
29771 dodecan-5-one
29776 henicosan-11-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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