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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: 204 nonactive | as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> [204]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.7055±0.0111016
Normalized OD Score: sc h 1.0260±0.0128345
Z-Score: 1.4095±0.675996
p-Value: 0.205348
Z-Factor: -3.20219
Fitness Defect: 1.583
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:6|D2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.90 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.042225±0.00072
Plate DMSO Control (-):0.688175±0.02109
Plate Z-Factor:0.8974
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DBLink | Rows returned: 31<< Back 1 2 3 4 5 6 Next >> 
443469 (4aS,4bR,7R,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene
519326 7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene
535292 4,7,7-trimethyl-3-prop-1-en-2-yl-bicyclo[4.1.0]hept-4-ene
535349 7,7-dimethyl-2-propan-2-yl-5-prop-1-en-2-yl-bicyclo[4.1.0]hept-3-ene
572323 3,7,7-trimethyl-2-prop-1-en-2-yl-bicyclo[4.1.0]hept-3-ene
5153010 5,9,9-trimethyl-2-methylidene-bicyclo[6.2.0]dec-4-ene

internal high similarity DBLink | Rows returned: 0

active | Cluster 8140 | Additional Members: 2 | Rows returned: 0

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