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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 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.6799±0.00106066
Normalized OD Score: sc h 0.9777±0.000676262
Z-Score: -1.2112±0.0549999
p-Value: 0.22618
Z-Factor: -4.31098
Fitness Defect: 1.4864
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|G6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.70 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.041374999999999995±0.00052
Plate DMSO Control (-):0.687425±0.02326
Plate Z-Factor:0.8902
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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: 13<< Back 1 2 3 Next >> 
NRB 02462 0.9583
BTB 15000 0.9583
BTBG 00152 0.9583
BTB 09925 1.0000
CD 11355 1.0000
RH 01730 1.0000

active | Cluster 11884 | Additional Members: 2 | Rows returned: 1
SPE01504910 0.25531914893617

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