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Compound InformationSONAR Target prediction
Name:

DIHYDROJASMONIC ACID

Unique Identifier:SPE01504104
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:192.127 g/mol
X log p:-1.077  (online calculus)
Lipinksi Failures0
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:6
Canonical Smiles:CCCCCC1C(CCC1=O)CC(O)=O
Class:alkane
Source:Jasminium spp and Vicia faba
Reference:Helv Chim Acta 57: 1301 (1974); Tet Lett 3413 (1974); JACS 97: 6144 (1975); PNAS 98:
4788 (2001)
Therapeutics:plant growth regulator

Found: 205 nonactive as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [205]
Species: 4932
Condition: DEP1
Replicates: 2
Raw OD Value: r im 0.7301±0.0137179
Normalized OD Score: sc h 0.9967±0.0121739
Z-Score: -0.1227±0.530569
p-Value: 0.709628
Z-Factor: -62.0441
Fitness Defect: 0.343
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|G6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2005-12-22 YYYY-MM-DD
Plate CH Control (+):0.039349999999999996±0.00121
Plate DMSO Control (-):0.7162999999999999±0.01611
Plate Z-Factor:0.9163
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DBLink | Rows returned: 186[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [31]
4624071 9-oxo-8-tert-butyl-bicyclo[3.3.1]nonane-3-carboxylic acid
4667416 5-oxoundecanoic acid
4737093 2-(1,7-dimethyl-2-oxo-norbornan-7-yl)acetic acid
5105338 7-methyl-9-oxo-bicyclo[3.3.1]nonane-3-carboxylic acid
5150859 5-oxopentadecanoic acid
5260157 3-acetyl-2,2-dimethyl-cyclobutane-1-carboxylic acid

internal high similarity DBLink | Rows returned: 132 3 Next >> 
SPE01500225 0.9130
JFD 01238 0.9130
JFD 01264 0.9167
BTBG 00035 0.9167
LOPAC 00965 0.9167
RJC 03406 0.9583

active | Cluster 11884 | Additional Members: 2 | Rows returned: 1
SPE01504910 0.25531914893617

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