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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 171 172 173 174 175 176 177 178 179 180  Next >> [205]
Species: 4932
Condition: SNF2
Replicates: 2
Raw OD Value: r im 0.5597±0.0174655
Normalized OD Score: sc h 0.9158±0.0406434
Z-Score: -2.4450±1.29574
p-Value: 0.0635536
Z-Factor: -1.85289
Fitness Defect: 2.7559
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|G10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.70 Celcius
Date:2008-02-01 YYYY-MM-DD
Plate CH Control (+):0.039675±0.00934
Plate DMSO Control (-):0.5689500000000001±0.02178
Plate Z-Factor:0.7716
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DBLink | Rows returned: 1862 3 4 5 6 7 8 9 10  Next >> [31]
64980 n/a
69346 5-oxodecanoic acid
78784 3-[1,3,3-tris(2-carboxyethyl)-2-oxo-cyclohexyl]propanoic acid
85410 5-oxotetradecanoic acid
85548 5-oxooctadecanoic acid
98393 3-(2-oxocyclohexyl)propanoic 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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