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Compound Information
SONAR Target prediction
Name:
beta-AMYRIN ACETATE
Unique Identifier:
SPE00100552
MolClass:
Checkout models in
ver1.5
and
ver1.0
Molecular Formula:
Molecular Weight:
416.341 g/mol
X log p:
3.337
(online calculus)
Lipinksi Failures
0
TPSA
26.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptors Count:
2
Rotatable Bond Count:
2
Canonical Smiles:
CC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C)CCC23C)C1(C)C
Class:
triterpene
Source:
latof various species of rubber tree
Reference:
J Chem Soc 1952:2916; Phytocehmistry 9: 1669 (1970)
Found: 205 nonactive as graph:
single
|
with analogs
[1]
<< Back
191
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193
194
195
196
197
198
199
200
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[205]
Species:
4932
Condition:
HOG1
Replicates:
2
Raw OD Value:
r
im
0.5730±0.0141421
Normalized OD Score:
sc
h
1.0010±0.00743694
Z-Score:
0.0100±0.200536
p-Value:
0.887244
Z-Factor:
-330.033
Fitness Defect:
0.1196
Bioactivity Statement:
Nonactive
Experimental Conditions
Library:
Spectrum_ED
Plate Number and Position:
14|H4
Drug Concentration:
50.00 nM
OD Absorbance:
595 nm
Robot Temperature:
30.00 Celcius
Date:
2010-08-10 YYYY-MM-DD
Plate CH Control (+):
0.08499999999999999±0.00588
Plate DMSO Control (-):
0.64225±0.01758
Plate Z-Factor:
0.8735
png
ps
pdf
DBLink | Rows returned: 188
[1]
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11
12
13
14
15
16
17
18
19
20
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[32]
5363276
[(E)-8-methyltetradec-9-enyl] acetate
5363278
[(E)-9-methyltetradec-10-enyl] acetate
5363283
[17-[(E)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydr
o-1H-cyclopenta[a]phenanthren-3-yl] acetate
5363285
[(E)-hexadec-9-enyl] acetate
5363286
[(E)-octadec-11-enyl] acetate
5363287
[(E)-octadec-12-enyl] acetate
internal high similarity DBLink | Rows returned: 4
SPE00307058
0.9123
SPE00310003
0.9123
SPE00310030
0.9231
SPE00100583
0.9811
active
| Cluster 1623 | Additional Members: 8 | Rows returned: 5
SPE01505133
0.342105263157895
SPE01800123
0.328767123287671
SPE01504016
0.256756756756757
SPE00102058
0.246575342465753
SPE00100550
0
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