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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 1 2 3 4 5 Next >> 
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.3016±0.00742462
Normalized OD Score: sc h 0.8103±0.00125616
Z-Score: -5.3092±0.0426188
p-Value: 0.000000111587
Z-Factor: 0.487134
Fitness Defect: 16.0085
Bioactivity Statement: Active
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:2006-02-22 YYYY-MM-DD
Plate CH Control (+):0.040875±0.00108
Plate DMSO Control (-):0.33375±0.01630
Plate Z-Factor:0.7447
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DBLink | Rows returned: 101<< Back 1 2 3 4 5 6 7 8 9 10  Next >> 
353683 2,6,6-trimethylbicyclo[5.4.0]undec-8-en-2-ol
361986 bicyclo[3.3.1]non-3-en-7-ol
363382 n/a
397486 (3S,4aS,6aR,6aR,6bR,8S,8aS,12S,12aS,14aS,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,
12a,13,14,14a-tetradecahydro-1H-picene-3,8-diol
428884 2-(6-bicyclo[2.2.1]hept-2-enyl)propan-2-ol
442343 (2S)-6-methyl-2-[(1S)-4-methyl-1-cyclohex-3-enyl]hept-5-en-2-ol

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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