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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: 590 nonactive | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [590]
Species: 4932
Condition: SPE01500767
Replicates: 2
Raw OD Value: r im 0.7666±0.00544472
Normalized OD Score: sc h 1.0018±0.00561438
Z-Score: 0.0771±0.288389
p-Value: 0.838888
Z-Factor: -13.7896
Fitness Defect: 0.1757
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|C10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.60 Celcius
Date:2006-11-29 YYYY-MM-DD
Plate CH Control (+):0.04235±0.00425
Plate DMSO Control (-):0.7704±0.00961
Plate Z-Factor:0.9556
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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

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