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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: CLA4
Replicates: 2
Raw OD Value: r im 0.6553±0.0190212
Normalized OD Score: sc h 0.9683±0.00440001
Z-Score: -1.4007±0.248257
p-Value: 0.167744
Z-Factor: -14.9572
Fitness Defect: 1.7853
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|G6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.70 Celcius
Date:2007-09-12 YYYY-MM-DD
Plate CH Control (+):0.04045±0.00214
Plate DMSO Control (-):0.669525±0.04671
Plate Z-Factor:0.7648
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DBLink | Rows returned: 186[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [31]
782036 3-[1-(2-carboxyethyl)-2-oxo-cyclohexyl]propanoic acid
826294 (1S,5R)-9-oxobicyclo[3.3.1]nonane-7-carboxylic acid
826301 (1S,5R)-7-methyl-9-oxo-bicyclo[3.3.1]nonane-3-carboxylic acid
919476 (2R)-5-oxo-2-propan-2-yl-hexanoic acid
919477 (2S)-5-oxo-2-propan-2-yl-hexanoic acid
1738138 (2R)-5-oxo-2-propyl-hexanoate

internal high similarity DBLink | Rows returned: 131 2 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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