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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:
BEM2
Replicates:
2
Raw OD Value:
r
im
0.6526±0.00516188
Normalized OD Score:
sc
h
1.0047±0.00338424
Z-Score:
0.2481±0.172609
p-Value:
0.805508
Z-Factor:
-10.6065
Fitness Defect:
0.2163
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:
2006-03-25 YYYY-MM-DD
Plate CH Control (+):
0.042025±0.00175
Plate DMSO Control (-):
0.6377±0.00902
Plate Z-Factor:
0.9444
png
ps
pdf
DBLink | Rows returned: 136
[1]
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[23]
5462694
pentyl (E)-octadec-9-enoate
5462825
butyl (E)-octadec-9-enoate
5476936
hexadecyl (E)-tetradec-9-enoate
5744242
2-ethylhexyl (E)-docos-13-enoate
5744352
16-methylheptadecyl (E)-docos-13-enoate
5869600
(7E)-1-oxacycloheptadec-7-en-2-one
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
Service provided by the
Mike Tyers Laboratory