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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 51 52 53 54 55 56 57 58 59 60  Next >> [202]
Species: 4932
Condition: MRT4
Replicates: 2
Raw OD Value: r im 0.4752±0.0848528
Normalized OD Score: sc h 0.9943±0.0259588
Z-Score: -0.1261±0.834826
p-Value: 0.558116
Z-Factor: -17.338
Fitness Defect: 0.5832
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|A10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.80 Celcius
Date:2007-08-30 YYYY-MM-DD
Plate CH Control (+):0.039599999999999996±0.00068
Plate DMSO Control (-):0.4617±0.08049
Plate Z-Factor:-0.0263
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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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