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Compound InformationSONAR Target prediction
Name:

SAFROLE

Unique Identifier:SPE01503620
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:152.106 g/mol
X log p:9.158  (online calculus)
Lipinksi Failures1
TPSA18.46
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:2
Canonical Smiles:C=CCc1ccc2OCOc2c1
Class:aromatic
Source:sassafras officinale
Reference:J Org Chem 13: 448 (1948)
Therapeutics:anesthetic (topical) and antiseptic, pediculicide

Found: 204 nonactive | as graph: single | with analogs [1] << Back 51 52 53 54 55 56 57 58 59 60  Next >> [204]
Species: 4932
Condition: MT2481-pdr1pdr3-2nd
Replicates: 2
Raw OD Value: r im 0.5526±0.0118087
Normalized OD Score: sc h 1.0010±0.0140316
Z-Score: -0.8056±0.577902
p-Value: 0.458046
Z-Factor: -49.3026
Fitness Defect: 0.7808
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:9|F3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.00 Celcius
Date:2007-09-27 YYYY-MM-DD
Plate CH Control (+):0.039675±0.00106
Plate DMSO Control (-):0.552±0.07218
Plate Z-Factor:0.5597
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DBLink | Rows returned: 2
5144 5-prop-2-enylbenzo[1,3]dioxole
15977988 magnesium 5-prop-2-enylbenzo[1,3]dioxole bromide

internal high similarity DBLink | Rows returned: 0

active | Cluster 17530 | Additional Members: 12 | Rows returned: 0

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