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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 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 >> 
564586 3-methylbicyclo[3.3.1]non-3-en-7-ol
564736 1-(4-methyl-1-cyclohex-3-enyl)ethanol
565569 2,4a,5,8a-tetramethyl-1,2,3,4,7,8-hexahydronaphthalen-1-ol
579199 1,5,6,7-tetramethylbicyclo[3.2.0]hept-6-en-3-ol
605758 1,2,4a,6a,6b,9,9,12a-octamethyl-4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-tetradecahydro-1H-picen-5-ol
608593 8a,11-bis(hydroxymethyl)-4,4,6a,6b,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydrop
icen-3-ol

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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