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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 161 162 163 164 165 166 167 168 169 170  Next >> [205]
Species: 4932
Condition: SEC66
Replicates: 2
Raw OD Value: r im 0.5632±0.0053033
Normalized OD Score: sc h 1.0045±0.0208046
Z-Score: 0.1479±0.764077
p-Value: 0.593058
Z-Factor: -11.5676
Fitness Defect: 0.5225
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|G10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.20 Celcius
Date:2007-12-07 YYYY-MM-DD
Plate CH Control (+):0.04505±0.00120
Plate DMSO Control (-):0.540775±0.01516
Plate Z-Factor:0.9155
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DBLink | Rows returned: 186[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [31]
6938799 3-[(1R)-2-oxocyclohexyl]propanoate
6938801 3-[(1S)-2-oxocyclohexyl]propanoate
6940793 (3S,5S)-4-oxoadamantane-1-carboxylate
6940794 (3S,5S)-4-oxoadamantane-1-carboxylic acid
6940795 (3R,5R)-4-oxoadamantane-1-carboxylate
6940796 (3R,5R)-4-oxoadamantane-1-carboxylic 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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