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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 31 32 33 34 35 36 37 38 39 40  Next >> [202]
Species: 4932
Condition: HTZ1
Replicates: 2
Raw OD Value: r im 0.2818±0.0405172
Normalized OD Score: sc h 1.1912±0.0297045
Z-Score: 0.8860±0.438593
p-Value: 0.398188
Z-Factor: -7.46006
Fitness Defect: 0.9208
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|A10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.40 Celcius
Date:2007-09-26 YYYY-MM-DD
Plate CH Control (+):0.040125±0.00054
Plate DMSO Control (-):0.23112500000000002±0.07705
Plate Z-Factor:-0.5197
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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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