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Compound InformationSONAR Target prediction
Name:

3-PRENYL-4-HYDROXYACETOPHENONE

Unique Identifier:SPE00203029
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:188.138 g/mol
X log p:8.322  (online calculus)
Lipinksi Failures1
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:3
Canonical Smiles:CC(C)=CCc1cc(ccc1O)C(C)=O
Source:Helianthella uniflora and Polymnia sonchifolia
Reference:Chem Ber 103: 90 (1970); 105: 863 (1972); Phytochemistry 20: 2417 (1981); 43: 1019
(1996)
Therapeutics:phytoalexin

Found: 13 active | as graph: single | with analogs << Back 1 2 3 4 5 6 7 8 9 10  Next >> 
Species: 4932
Condition: TOP1
Replicates: 2
Raw OD Value: r im 0.3628±0.00509117
Normalized OD Score: sc h 0.6671±0.0228071
Z-Score: -5.3806±0.633359
p-Value: 0.000000408232
Z-Factor: 0.410783
Fitness Defect: 14.7114
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|H10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.50 Celcius
Date:2006-04-26 YYYY-MM-DD
Plate CH Control (+):0.040075±0.00110
Plate DMSO Control (-):0.5815±0.02355
Plate Z-Factor:0.8370
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DBLink | Rows returned: 2
442916 1-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]ethanone
6710633 1-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]ethanone

internal high similarity DBLink | Rows returned: 1
SPE00203032 1.0000

nonactive | Cluster 11949 | Additional Members: 2 | Rows returned: 0
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