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Compound Information
SONAR Target prediction
Name:
Oleic Acid
Unique Identifier:
LOPAC 01105
MolClass:
Checkout models in
ver1.5
and
ver1.0
Molecular Formula:
C18H34O2
Molecular Weight:
248.191 g/mol
X log p:
3.318
(online calculus)
Lipinksi Failures
1
TPSA
17.07
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptors Count:
2
Rotatable Bond Count:
15
Canonical Smiles:
CCCCCCCC=CCCCCCCCCC(O)=O
Class:
Phosphorylation
Action:
Activator
Selectivity:
PKC
Generic_name:
OLEIC ACID
Chemical_iupac_name:
OLEIC ACID
Drug_type:
Experimental
Kegg_compound_id:
C00712
Drugbank_id:
EXPT02430
Logp:
6.036
Cas_registry_number:
112-80-1
Drug_category:
Serum Albumin inhibitor
Organisms_affected:
-1
Found: 24 nonactive as graph:
single
|
with analogs
[1]
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21
22
23
24
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[24]
Species:
4932
Condition:
tep1-2nd
Replicates:
2
Raw OD Value:
r
im
0.8181±0.0123744
Normalized OD Score:
sc
h
1.0273±0.00110862
Z-Score:
1.0363±0.0300662
p-Value:
0.300186
Z-Factor:
-2.81741
Fitness Defect:
1.2034
Bioactivity Statement:
Nonactive
Experimental Conditions
Library:
Lopac
Plate Number and Position:
12|B4
Drug Concentration:
50.00 nM
OD Absorbance:
600 nm
Robot Temperature:
0.00 Celcius
Date:
2005-07-07 YYYY-MM-DD
Plate CH Control (+):
0.04295±0.00213
Plate DMSO Control (-):
0.726725±0.03544
Plate Z-Factor:
0.8623
png
ps
pdf
DBLink | Rows returned: 282
[1]
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41
42
43
44
45
46
47
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[47]
6506369
barium(+2) cation; (E)-octadec-9-enoate
6506378
(E)-octadec-9-enoic acid
6506385
lithium (E)-octadec-9-enoate
6506399
chromium(+3) cation; (E)-octadec-9-enoate
6538037
potassium (E)-octadec-9-enoate
6538040
sodium (E)-octadec-9-enoate
internal high similarity DBLink | Rows returned: 5
SPE00100550
0.9091
SPE01800031
0.9091
BTBG 00247
0.9524
SPE00310016
1.0000
SPE01500856
1.0000
active
| Cluster 13466 | Additional Members: 2 | Rows returned: 0
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