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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: 5 active | as graph: single | with analogs << Back 1 2 3 4 5 Next >> 
Species: 4932
Condition: LAT1
Replicates: 2
Raw OD Value: r im 0.5855±0.00841457
Normalized OD Score: sc h 0.8759±0.00276741
Z-Score: -6.1123±0.254332
p-Value: 0.00000000164846
Z-Factor: 0.535266
Fitness Defect: 20.2234
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:13|C10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.40 Celcius
Date:2008-04-23 YYYY-MM-DD
Plate CH Control (+):0.040374999999999994±0.00045
Plate DMSO Control (-):0.660625±0.01078
Plate Z-Factor:0.9479
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DBLink | Rows returned: 101<< Back 11 12 13 14 15 16 17
7296016 [(2R,3S)-3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]methanol
7296017 [(2S,3R)-3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]methanol
7296018 [(2S,3S)-3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]methanol
11990360 (1S,4R,4aR,8aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
16057421 [(1R,4R,7R)-7-bicyclo[2.2.2]oct-2-enyl]methanol

internal high similarity DBLink | Rows returned: 92 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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