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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:
CHS5
Replicates:
2
Raw OD Value:
r
im
0.7475±0.00162635
Normalized OD Score:
sc
h
1.0072±0.0013698
Z-Score:
0.3480±0.0757511
p-Value:
0.72825
Z-Factor:
-3.22977
Fitness Defect:
0.3171
Bioactivity Statement:
Nonactive
Experimental Conditions
Library:
Spectrum
Plate Number and Position:
23|E11
Drug Concentration:
50.00 nM
OD Absorbance:
600 nm
Robot Temperature:
26.90 Celcius
Date:
2006-03-28 YYYY-MM-DD
Plate CH Control (+):
0.038525000000000004±0.00096
Plate DMSO Control (-):
0.737825±0.01044
Plate Z-Factor:
0.9347
png
ps
pdf
DBLink | Rows returned: 136
[1]
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[23]
6044827
heptadecyl (E)-octadec-9-enoate
6044828
tridecyl (E)-octadec-9-enoate
6044893
octyl (E)-octadec-9-enoate
6087269
[(E)-octadec-9-enyl] octadecanoate
6087858
octadecyl (E)-octadec-9-enoate
6110549
[(E)-octadec-9-enyl] (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