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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 31 32 33 34 35 36 37 38 39 40  Next >> [205]
Species: 4932
Condition: GCN5
Replicates: 2
Raw OD Value: r im 0.3764±0.0683065
Normalized OD Score: sc h 0.9928±0.0178792
Z-Score: -0.1253±0.307333
p-Value: 0.829284
Z-Factor: -28.4888
Fitness Defect: 0.1872
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|G6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.20 Celcius
Date:2007-10-30 YYYY-MM-DD
Plate CH Control (+):0.04085±0.00042
Plate DMSO Control (-):0.38149999999999995±0.03574
Plate Z-Factor:0.6392
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DBLink | Rows returned: 186[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [31]
538225 5-oxo-2-propyl-hexanoic acid
544497 4-(3-hydroxy-10,13-dimethyl-7,12-dioxo-2,3,4,5,6,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanth
ren-17-yl)pentanoic acid
545902 4,4-dimethyl-5-oxo-heptanoic acid
574349 7a-methyl-1-(6-methylheptan-2-yl)-5-(1-methyl-2-oxo-cyclohexyl)-1,2,3,3a,4,5,6,7-octahydroindene-4-carbo
xylic acid
587805 3-(1,3,3-trimethyl-2-oxo-cyclohexyl)propanoic acid
592399 7a-methyl-1-oxo-3,3a,4,5,6,7-hexahydro-2H-indene-4-carboxylic acid

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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