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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:
CIN2
Replicates:
2
Raw OD Value:
r
im
0.7743±0.019304
Normalized OD Score:
sc
h
1.0096±0.00788294
Z-Score:
0.5427±0.453346
p-Value:
0.606068
Z-Factor:
-5.19883
Fitness Defect:
0.5008
Bioactivity Statement:
Nonactive
Experimental Conditions
Library:
Spectrum
Plate Number and Position:
23|E11
Drug Concentration:
50.00 nM
OD Absorbance:
600 nm
Robot Temperature:
27.30 Celcius
Date:
2006-02-14 YYYY-MM-DD
Plate CH Control (+):
0.039125±0.00114
Plate DMSO Control (-):
0.7667999999999999±0.01242
Plate Z-Factor:
0.9268
png
ps
pdf
DBLink | Rows returned: 136
[1]
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[23]
543844
octadec-9-enyl octadec-9-enoate
545773
icosyl hexadec-9-enoate
636841
[(3S,4aS,6aR,6bS,8aS,12aR,14aS,14bS)-4,4,6a,6b,8a,9,9,14b-octamethyl-1,2,3,4a,5,6,7,8,10,11,12,12a,14,14
a-tetradecahydropicen-3-yl] hexadecanoate
3591866
1-oxacycloheptadec-7-en-2-one
4129360
dodecyl hexadec-9-enoate
4193513
henicosyl 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