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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 11 12 13 14 15 16 17 Next >> 
6432503 6-methyl-2-[(1R)-4-methyl-1-cyclohex-3-enyl]hept-5-en-2-ol
6440718 (3S,5S,8R,9S,10S,12R,13R,14R,17S)-17-[(Z)-7-hydroxy-6-methyl-hept-2-en-2-yl]-4,4,8,10,14-pentamethyl-2,3
,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
6506009 (2R)-6-methyl-2-(4-methyl-1-cyclohex-3-enyl)hept-5-en-2-ol
6561182 (3R,4aS,6aS,6aS,8aR,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6a,11,11,14b-heptamethyl-1,2,3,4a,5,6,8,9,
10,12,12a,13,14,14a-tetradecahydropicen-3-ol
6579449 [(1R,4R,6S)-6-bicyclo[2.2.1]hept-2-enyl]methanol
6617446 1-(6-methyl-6-bicyclo[2.2.1]hept-2-enyl)ethanol

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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