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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 181 182 183 184 185 186 187 188 189 190  Next >> [205]
Species: 4932
Condition: SWI4
Replicates: 2
Raw OD Value: r im 0.5662±0.00799031
Normalized OD Score: sc h 0.9745±0.00637305
Z-Score: -1.1522±0.310791
p-Value: 0.260584
Z-Factor: -4.86862
Fitness Defect: 1.3448
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|G10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.30 Celcius
Date:2008-02-07 YYYY-MM-DD
Plate CH Control (+):0.04202500000000001±0.00086
Plate DMSO Control (-):0.5621499999999999±0.01753
Plate Z-Factor:0.8920
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DBLink | Rows returned: 186[1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [31]
7177065 3-[(1R,3R)-3-(2-carboxyethyl)-2-oxo-cyclododecyl]propanoic acid
7195729 3-[(1S,3S)-3-(2-carboxylatoethyl)-2-oxo-cyclohexyl]propanoate
7195730 3-[(1S,3S)-3-(2-carboxyethyl)-2-oxo-cyclohexyl]propanoic acid
7195731 3-[(1R,3R)-3-(2-carboxylatoethyl)-2-oxo-cyclohexyl]propanoate
7195732 3-[(1R,3R)-3-(2-carboxyethyl)-2-oxo-cyclohexyl]propanoic acid
7195733 3-[(1R,3S)-3-(2-carboxylatoethyl)-2-oxo-cyclohexyl]propanoate

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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