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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 201 202 203 204 205 Next >> [205]
Species: 4932
Condition: MKK1
Replicates: 2
Raw OD Value: r im 0.8665±0.00919239
Normalized OD Score: sc h 1.0071±0.00956542
Z-Score: 0.1940±0.262064
p-Value: 0.848752
Z-Factor: -16.2914
Fitness Defect: 0.164
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:22|B2
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09075±0.00752
Plate DMSO Control (-):0.9630000000000001±0.02354
Plate Z-Factor:0.9097
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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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