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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 191 192 193 194 195 196 197 198 199 200  Next >> [205]
Species: 4932
Condition: CLN2
Replicates: 2
Raw OD Value: r im 0.7090±0.00997021
Normalized OD Score: sc h 0.9709±0.00560532
Z-Score: -0.9719±0.201645
p-Value: 0.336006
Z-Factor: -3.56453
Fitness Defect: 1.0906
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 (+):0.08775±0.00535
Plate DMSO Control (-):0.90875±0.06816
Plate Z-Factor:0.7120
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DBLink | Rows returned: 186[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [31]
6543587 (1R,3S)-2,2,3-trimethyl-4-oxo-cyclohexane-1-carboxylic acid
6543896 (1R,3R,5R,8R)-9-oxo-8-tert-butyl-bicyclo[3.3.1]nonane-3-carboxylic acid
6565923 n/a
6573399 n/a
6573400 n/a
6851139 n/a

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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