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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: RRP6
Replicates: 2
Raw OD Value: r im 0.6257±0.00459619
Normalized OD Score: sc h 0.9968±0.0145697
Z-Score: -0.1081±0.525701
p-Value: 0.71171
Z-Factor: -6.33624
Fitness Defect: 0.3401
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|G10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.20 Celcius
Date:2008-03-14 YYYY-MM-DD
Plate CH Control (+):0.040625±0.00090
Plate DMSO Control (-):0.5883750000000001±0.02884
Plate Z-Factor:0.8621
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DBLink | Rows returned: 186[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [31]
6947681 (1S,5R)-9-oxobicyclo[3.3.1]nonane-7-carboxylate
6947683 (1S,5R)-7-methyl-9-oxo-bicyclo[3.3.1]nonane-3-carboxylate
6954435 (2R)-5-oxo-2-propan-2-yl-hexanoate
6954436 (2S)-5-oxo-2-propan-2-yl-hexanoate
6992741 4-acetyl-4-methyl-heptanedioate
7003042 n/a

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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