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Compound Information
SONAR Target prediction
Name:
AMBRETTOLIDE
Unique Identifier:
SPE00310003
MolClass:
Checkout models in
ver1.5
and
ver1.0
Molecular Formula:
C16H28O2
Molecular Weight:
224.17 g/mol
X log p:
4.152
(online calculus)
Lipinksi Failures
0
TPSA
26.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptors Count:
2
Rotatable Bond Count:
0
Canonical Smiles:
O=C1CCCCCC=CCCCCCCCCO1
Source:
ex Abelmoschus moschatus and bees
Reference:
Food Cosmet Toxicol 13: 707 (1975)
Found: 101 nonactive as graph:
single
|
with analogs
[1]
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[101]
Species:
4932
Condition:
SWE1
Replicates:
2
Raw OD Value:
r
im
0.7619±0.0026163
Normalized OD Score:
sc
h
1.0012±0.00249742
Z-Score:
0.0324±0.0721549
p-Value:
0.95933
Z-Factor:
-93.3003
Fitness Defect:
0.0415
Bioactivity Statement:
Nonactive
Experimental Conditions
Library:
Spectrum
Plate Number and Position:
23|E11
Drug Concentration:
50.00 nM
OD Absorbance:
600 nm
Robot Temperature:
25.10 Celcius
Date:
2006-04-19 YYYY-MM-DD
Plate CH Control (+):
0.03755±0.00121
Plate DMSO Control (-):
0.7307750000000001±0.02306
Plate Z-Factor:
0.8836
png
ps
pdf
DBLink | Rows returned: 136
[1]
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[23]
5367704
[(E)-octadec-9-enyl] octadecanoate
5367705
[(E)-octadec-9-enyl] icosanoate
5369024
[(E)-hexadec-9-enyl] octadecanoate
5369025
[(E)-hexadec-9-enyl] icosanoate
5377230
[(E)-octadec-9-enyl] hexadecanoate
5377655
hexadecyl (E)-octadec-9-enoate
internal high similarity DBLink | Rows returned: 5
SPE00100552
0.9123
SPE00102058
0.9180
NRB 03689
0.9194
SPE00300034
0.9194
SPE00310017
0.9474
active
| Cluster 983 | Additional Members: 1 | Rows returned: 0
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Mike Tyers Laboratory