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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: 1 active | as graph: single | with analogs
Species: 4932
Condition: KAP123
Replicates: 2
Raw OD Value: r im 0.5046±0.00254558
Normalized OD Score: sc h 0.8979±0.00833633
Z-Score: -4.1108±0.646417
p-Value: 0.000131684
Z-Factor: -0.285631
Fitness Defect: 8.9351
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:6|H9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.50 Celcius
Date:2007-11-09 YYYY-MM-DD
Plate CH Control (+):0.040575±0.00074
Plate DMSO Control (-):0.5507±0.01865
Plate Z-Factor:0.8867
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DBLink | Rows returned: 71<< Back 11 12
11075053 methyl 2-[(4aS,8aS)-6-oxo-1,2,3,4,5,7,8,8a-octahydronaphthalen-4a-yl]acetate
11775809 methyl (2S,4aR,8aS)-8a-methyl-8-oxo-1,2,3,4,4a,5,6,7-octahydronaphthalene-2-carboxylate
11851102 methyl (1R,3S)-3-acetyl-2,2-dimethyl-cyclobutane-1-carboxylate
13494375 methyl 3-(2-oxocycloheptyl)propanoate
16055071 n/a

internal high similarity DBLink | Rows returned: 11<< Back 1 2
JFD 02357 0.9706
JFD 02358 0.9706
NRB 02750 0.9706
BTB 14975 0.9706
RJC 03996 1.0000

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

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