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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 1 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: BNI4
Replicates: 2
Raw OD Value: r im 0.6936±0.00643467
Normalized OD Score: sc h 1.0300±0.0178721
Z-Score: 0.9521±0.628446
p-Value: 0.387112
Z-Factor: -1.87787
Fitness Defect: 0.949
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|G6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.00 Celcius
Date:2006-03-22 YYYY-MM-DD
Plate CH Control (+):0.0395±0.00023
Plate DMSO Control (-):0.6830499999999999±0.00838
Plate Z-Factor:0.9530
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DBLink | Rows returned: 186[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [31]
2054346 (4R)-4-acetylheptanoic acid
2728204 3-[3-(2-carboxyethyl)-2-oxo-cyclohexyl]propanoic acid
2750590 3-acetyl-2,2,3-trimethyl-cyclopentane-1-carboxylic acid
2750955 3-(4,7,7-trimethyl-3-oxo-norbornan-2-yl)propanoic acid
2754206 2-methyl-2-(2-propanoylcyclohexyl)propanoic acid
2775083 3-(2-oxocyclododecyl)propanoic acid

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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