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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 2 3 4 5 6 7 8 9 10  Next >> [202]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.7003±0.00127279
Normalized OD Score: sc h 0.9890±0.00708622
Z-Score: -0.5979±0.393982
p-Value: 0.565112
Z-Factor: -11.3495
Fitness Defect: 0.5707
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|A10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.50 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.04165±0.00070
Plate DMSO Control (-):0.691225±0.02158
Plate Z-Factor:0.8986
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DBLink | Rows returned: 101<< Back 1 2 3 4 5 6 7 8 9 10  Next >> 
166368 (2,8,8-trimethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)methanol
175180 6,6-dimethyl-2-methylidene-norpinane; gold(+3) cation; 2-(4-methyl-1-cyclohex-3-enyl)propan-2-ol;
4,7,7-trimethylbicyclo[3.1.1]hept-3-ene; trichloride
231039 n/a
231047 n/a
262082 n/a
290659 2,3,3a,4,7,7a-hexahydro-1H-inden-1-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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