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Compound InformationSONAR Target prediction
Name:

DIHYDROJASMONIC ACID, METHYL ESTER

Unique Identifier:SPE01504910
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:204.137 g/mol
X log p:-0.243  (online calculus)
Lipinksi Failures0
TPSA43.37
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:7
Canonical Smiles:CCCCCC1C(CCC1=O)CC(=O)OC
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: 204 nonactive | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [204]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.6704±0.0122329
Normalized OD Score: sc h 0.9562±0.0219876
Z-Score: -2.3694±1.15878
p-Value: 0.0612798
Z-Factor: -3.07173
Fitness Defect: 2.7923
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:6|H9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.90 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.042225±0.00072
Plate DMSO Control (-):0.688175±0.02109
Plate Z-Factor:0.8974
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DBLink | Rows returned: 71<< Back 1 2 3 4 5 6 7 8 9 10  Next >> 
380731 n/a
380735 methyl 2-(2-oxonorbornan-7-yl)acetate
534664 methyl 2-methyl-3-(2-oxocyclopentyl)propanoate
534689 methyl 3-(1,4,4-trimethyl-2-oxo-cyclohexyl)propanoate
536070 methyl 2-methyl-5-oxo-2-propan-2-yl-hexanoate
537638 methyl 5-oxo-2-propan-2-yl-hexanoate

internal high similarity DBLink | Rows returned: 111 2 Next >> 
SPE00270051 0.9091
JFD 01973 0.9091
FM 00119 0.9091
BTB 15024 0.9091
BTBG 00226 0.9706
JFD 01004 0.9706

active | Cluster 11884 | Additional Members: 2 | Rows returned: 0
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