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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 81 82 83 84 85 86 87 88 89 90  Next >> [205]
Species: 4932
Condition: SET2
Replicates: 2
Raw OD Value: r im 0.7107±0.00770746
Normalized OD Score: sc h 0.9960±0.00341336
Z-Score: -0.2312±0.199102
p-Value: 0.818958
Z-Factor: -57.6924
Fitness Defect: 0.1997
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|E9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.00 Celcius
Date:2007-11-15 YYYY-MM-DD
Plate CH Control (+):0.041225±0.00108
Plate DMSO Control (-):0.709425±0.02013
Plate Z-Factor:0.9053
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DBLink | Rows returned: 1448[1] << Back 221 222 223 224 225 226 227 228 229 230  Next >> [242]
7052757 (5S,8S,9R,10S,13R,14R)-5,10,13,14-tetramethyl-2,4,6,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanth
rene-3,17-dione
7052794 (5S,8S,9R,10S,13S,14R)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,17-dodecahydro-1H-cyclopenta[a]phenanthr
ene-3,16-dione
7052795 (5S,8S,9R,10S,13R,14R)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,17-dodecahydro-1H-cyclopenta[a]phenanthr
ene-3,16-dione
7052796 (5S,8S,9S,10S,13S,14R)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,17-dodecahydro-1H-cyclopenta[a]phenanthr
ene-3,16-dione
7052797 (5S,8S,9S,10S,13R,14R)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,17-dodecahydro-1H-cyclopenta[a]phenanthr
ene-3,16-dione
7052848 (5S,8R,9R,10S,13R,14S)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthr
ene-3,17-dione

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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