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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 551 552 553 554 555 556 557 558 559 560  Next >> [590]
Species: 4932
Condition: NTH1
Replicates: 2
Raw OD Value: r im 0.6826±0.00268701
Normalized OD Score: sc h 0.9661±0.000604998
Z-Score: -1.7443±0.154958
p-Value: 0.0829284
Z-Factor: -2.51163
Fitness Defect: 2.4898
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:12|G5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.50 Celcius
Date:2008-01-23 YYYY-MM-DD
Plate CH Control (+):0.041475±0.00060
Plate DMSO Control (-):0.6774249999999999±0.02349
Plate Z-Factor:0.8608
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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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