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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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81
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[101]
Species:
4932
Condition:
SEC22
Replicates:
2
Raw OD Value:
r
im
0.5709±0.0245366
Normalized OD Score:
sc
h
0.9754±0.0164273
Z-Score:
-0.8421±0.530332
p-Value:
0.431998
Z-Factor:
-5.1059
Fitness Defect:
0.8393
Bioactivity Statement:
Nonactive
Experimental Conditions
Library:
Spectrum
Plate Number and Position:
23|E11
Drug Concentration:
50.00 nM
OD Absorbance:
600 nm
Robot Temperature:
23.50 Celcius
Date:
2007-10-16 YYYY-MM-DD
Plate CH Control (+):
0.039575±0.00041
Plate DMSO Control (-):
0.586875±0.01470
Plate Z-Factor:
0.9005
png
ps
pdf
DBLink | Rows returned: 136
[1]
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15
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17
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[23]
6161511
hexadecyl (E)-octadec-9-enoate
6174142
dodecyl (E)-octadec-9-enoate
6365981
[(E)-docos-13-enyl] (E)-docos-13-enoate
6366121
octadecyl (E)-docos-13-enoate
6366542
15-methylhexadecyl (E)-docos-13-enoate
6427913
[(3R,5S,10S,13R,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclop
enta[a]phenanthren-3-yl] (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