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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:
CIN8
Replicates:
2
Raw OD Value:
r
im
0.7786±0.0200818
Normalized OD Score:
sc
h
0.9994±0.00439559
Z-Score:
-0.0322±0.239209
p-Value:
0.86575
Z-Factor:
-42.2601
Fitness Defect:
0.1442
Bioactivity Statement:
Nonactive
Experimental Conditions
Library:
Spectrum
Plate Number and Position:
23|E11
Drug Concentration:
50.00 nM
OD Absorbance:
600 nm
Robot Temperature:
27.20 Celcius
Date:
2006-02-24 YYYY-MM-DD
Plate CH Control (+):
0.039275000000000004±0.00082
Plate DMSO Control (-):
0.7707999999999999±0.00953
Plate Z-Factor:
0.9640
png
ps
pdf
DBLink | Rows returned: 136
[1]
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[23]
6436475
[(E)-octadec-9-enyl] (E)-docos-13-enoate
6436485
docosyl (E)-docos-13-enoate
6436499
[(E)-octadec-9-enyl] dodecanoate
6436500
[(E)-octadec-9-enyl] octanoate
6436513
butyl (E)-docos-13-enoate
6436515
hexyl (E)-docos-13-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