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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 31 32 33 34 35 36 37 38 39 40  Next >> [204]
Species: 4932
Condition: GAS1
Replicates: 2
Raw OD Value: r im 0.3548±0.0348604
Normalized OD Score: sc h 1.1070±0.0399691
Z-Score: 1.0469±0.287403
p-Value: 0.305036
Z-Factor: -1.84409
Fitness Defect: 1.1873
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:6|D2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.90 Celcius
Date:2006-01-20 YYYY-MM-DD
Plate CH Control (+):0.043425000000000005±0.00154
Plate DMSO Control (-):0.3497±0.02233
Plate Z-Factor:0.6989
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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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