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Compound Information
SONAR 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 Failures
0
TPSA
0
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
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[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
png
ps
pdf
DBLink | Rows returned: 101
<< Back
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353683
2,6,6-trimethylbicyclo[5.4.0]undec-8-en-2-ol
361986
bicyclo[3.3.1]non-3-en-7-ol
363382
n/a
397486
(3S,4aS,6aR,6aR,6bR,8S,8aS,12S,12aS,14aS,14bS)-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
428884
2-(6-bicyclo[2.2.1]hept-2-enyl)propan-2-ol
442343
(2S)-6-methyl-2-[(1S)-4-methyl-1-cyclohex-3-enyl]hept-5-en-2-ol
internal high similarity DBLink | Rows returned: 9
1
2
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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