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Compound InformationSONAR Target prediction
Name:

CARYOPHYLLENE [t(-)]

Unique Identifier:SPE01500842
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:168.15 g/mol
X log p:3.322  (online calculus)
Lipinksi Failures0
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:0
Rotatable Bond Count:0
Canonical Smiles:CC1CCC2C(CC2(C)C)C(=C)CC=1
Class:sesquiterpene
Source:clove, cinnamon and many other oils

Found: 1 active | as graph: single | with analogs
Species: 4932
Condition: TRK1
Replicates: 2
Raw OD Value: r im 0.4100±0.00183848
Normalized OD Score: sc h 0.8358±0.00762066
Z-Score: -5.0695±0.212179
p-Value: 0.000000523522
Z-Factor: 0.321919
Fitness Defect: 14.4627
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:22|A2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.80 Celcius
Date:2008-03-14 YYYY-MM-DD
Plate CH Control (+):0.039925±0.00066
Plate DMSO Control (-):0.4719±0.01287
Plate Z-Factor:0.9033
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DBLink | Rows returned: 31<< Back 1 2 3 4 5 6 Next >> 
5365632 (4E)-undeca-1,4-diene
5365641 (1E)-3-ethenylcyclooctene
5365774 (4E)-icosa-1,4-diene
5367373 (1E)-3-prop-1-en-2-ylcyclooctene
6285549 (4Z)-4,10,10-trimethyl-7-methylidene-bicyclo[6.2.0]dec-4-ene
6432167 (4aS,7S)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 8140 | Additional Members: 2 | Rows returned: 1
SPE00300166 0.510204081632653

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