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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: RGP1
Replicates: 2
Raw OD Value: r im 0.3423±0.0046669
Normalized OD Score: sc h 0.7710±0.00531676
Z-Score: -5.9771±0.0579517
p-Value: 0.00000000234098
Z-Factor: 0.507966
Fitness Defect: 19.8727
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:13|C10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.30 Celcius
Date:2008-06-26 YYYY-MM-DD
Plate CH Control (+):0.03995±0.00204
Plate DMSO Control (-):0.4414±0.01397
Plate Z-Factor:0.8920
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DBLink | Rows returned: 101<< Back 1 2 3 4 5 6 7 8 9 10  Next >> 
442501 2-[(1R)-4-methyl-1-cyclohex-3-enyl]propan-2-ol
443162 2-[(1S)-4-methyl-1-cyclohex-3-enyl]propan-2-ol
449455 (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanth
rene-3,17-diol
494641 n/a
519662 1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
538916 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenan
threne-3,16-diol

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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