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Compound InformationSONAR Target prediction
Name:

CADIN-4-EN-10-OL

Unique Identifier:SPE00300055
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:196.16 g/mol
X log p:2.173  (online calculus)
Lipinksi Failures0
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:1
Canonical Smiles:CC(C)C1CCC(C)(O)C2CCC(C)=CC12
Class:sesquiterpene
Source:Chamaecyparis spp and Juniperus spp.
Reference:Tet Lett 1968: 1913

Found: 202 nonactive | as graph: single | with analogs [1] << Back 131 132 133 134 135 136 137 138 139 140  Next >> [202]
Species: 4932
Condition: GSY2
Replicates: 2
Raw OD Value: r im 0.6623±0.000707107
Normalized OD Score: sc h 0.9709±0.00282054
Z-Score: -1.3694±0.147563
p-Value: 0.173209
Z-Factor: -3.37108
Fitness Defect: 1.7533
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:13|C10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.10 Celcius
Date:2008-04-30 YYYY-MM-DD
Plate CH Control (+):0.040374999999999994±0.00173
Plate DMSO Control (-):0.660175±0.02969
Plate Z-Factor:0.8505
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DBLink | Rows returned: 1011 2 3 4 5 6 7 8 9 10  Next >> 
10586 6-methyl-2-(4-methyl-1-cyclohex-3-enyl)hept-5-en-2-ol
17100 2-(4-methyl-1-cyclohex-3-enyl)propan-2-ol
78946 6-bicyclo[2.2.1]hept-2-enylmethanol
98088 (6-methyl-6-bicyclo[2.2.1]hept-2-enyl)methanol
106743 (2,4-dimethyl-1-cyclohex-3-enyl)methanol
109458 (2,4,6-trimethyl-1-cyclohex-3-enyl)methanol

internal high similarity DBLink | Rows returned: 91 2 Next >> 
NRB 03722 0.9167
SPE00100360 0.9167
SB 01792 0.9444
SPE00201697 0.9444
SPE00240449 0.9444
SPE00240470 0.9444

active | Cluster 783 | Additional Members: 1 | Rows returned: 0
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