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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: SPT3
Replicates: 2
Raw OD Value: r im 0.2683±0.0360624
Normalized OD Score: sc h 0.5900±0.0654809
Z-Score: -6.5403±0.852445
p-Value: 0.00000000144694
Z-Factor: 0.27721
Fitness Defect: 20.3538
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:13|C10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.80 Celcius
Date:2008-02-13 YYYY-MM-DD
Plate CH Control (+):0.040825±0.00133
Plate DMSO Control (-):0.4344±0.01306
Plate Z-Factor:0.8802
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DBLink | Rows returned: 1011 2 3 4 5 6 7 8 9 10  Next >> 
10586 6-methyl-2-(4-methyl-1-cyclohex-3-enyl)hept-5-en-2-ol
17100 2-(4-methyl-1-cyclohex-3-enyl)propan-2-ol
78946 6-bicyclo[2.2.1]hept-2-enylmethanol
98088 (6-methyl-6-bicyclo[2.2.1]hept-2-enyl)methanol
106743 (2,4-dimethyl-1-cyclohex-3-enyl)methanol
109458 (2,4,6-trimethyl-1-cyclohex-3-enyl)methanol

internal high similarity DBLink | Rows returned: 9<< Back 1 2
SPE01500843 0.9444
SPE00307057 0.9474
SPE01504073 0.9722

active | Cluster 783 | Additional Members: 1 | Rows returned: 0
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