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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 [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [204]
Species: 4932
Condition: BRE1
Replicates: 2
Raw OD Value: r im 0.5322±0.00650538
Normalized OD Score: sc h 1.0396±0.0070592
Z-Score: 0.7134±0.0947495
p-Value: 0.476562
Z-Factor: -2.73013
Fitness Defect: 0.7412
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:6|D2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.70 Celcius
Date:2006-03-16 YYYY-MM-DD
Plate CH Control (+):0.039275000000000004±0.00155
Plate DMSO Control (-):0.5088±0.02059
Plate Z-Factor:0.8530
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DBLink | Rows returned: 312 3 4 5 6 Next >> 
10354 1-methyl-3-prop-1-en-2-yl-cyclohexene
41683 undeca-1,4-diene
55569 5-methyl-3-prop-1-en-2-yl-cyclohexene
90805 1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene
138919 n/a
138952 bicyclo[3.2.2]nona-6,9-diene

internal high similarity DBLink | Rows returned: 0

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

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