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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 1 2 3 4 5 6 7 8 9 10  Next >> 
620162 17-(5-hydroxypentan-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phena
nthrene-3,12-diol
623439 10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
634598 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
1201551 (2S)-6-methyl-2-[(1R)-4-methyl-1-cyclohex-3-enyl]hept-5-en-2-ol
1549992 (2R)-6-methyl-2-[(1R)-4-methyl-1-cyclohex-3-enyl]hept-5-en-2-ol
1616126 (2R)-6-methyl-2-[(1S)-4-methyl-1-cyclohex-3-enyl]hept-5-en-2-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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