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Compound Information
SONAR Target prediction
Name:
3-NOR-3-OXOPANASINSAN-6-OL
Unique Identifier:
SPE00300110
MolClass:
Checkout models in
ver1.5
and
ver1.0
Molecular Formula:
Molecular Weight:
200.149 g/mol
X log p:
-1.167
(online calculus)
Lipinksi Failures
0
TPSA
17.07
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptors Count:
2
Rotatable Bond Count:
0
Canonical Smiles:
CC1(C)CC23C1CCC2(C)C(O)CCC3=O
Class:
sesquiterpene
Source:
derivative Panax ginseng
Reference:
Chem Pharm Bull 35: 1975 (1987)
Found: 205 nonactive as graph:
single
|
with analogs
[1]
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191
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[205]
Species:
4932
Condition:
WHI5
Replicates:
2
Raw OD Value:
r
im
0.6448±0.0304763
Normalized OD Score:
sc
h
0.9789±0.0078844
Z-Score:
-0.6347±0.222358
p-Value:
0.530712
Z-Factor:
-10.6887
Fitness Defect:
0.6335
Bioactivity Statement:
Nonactive
Experimental Conditions
Library:
SPECMTS3
Plate Number and Position:
9|G7
Drug Concentration:
50.00 nM
OD Absorbance:
600 nm
Robot Temperature:
25.60 Celcius
Date:
2008-09-16 YYYY-MM-DD
Plate CH Control (+):
0.04105±0.00058
Plate DMSO Control (-):
0.670625±0.02966
Plate Z-Factor:
0.8333
png
ps
pdf
DBLink | Rows returned: 130
[1]
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[22]
428939
n/a
428940
n/a
495695
5-hydroxydecalin-1-one
495837
n/a
522416
11-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
525916
4-hydroxy-5-methyl-2-propan-2-yl-cyclohexan-1-one
internal high similarity DBLink | Rows returned: 3
JFD 02336
1.0000
SPE00100652
1.0000
SPE00270083
1.0000
active
| Cluster 883 | Additional Members: 1 | Rows returned: 0
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Mike Tyers Laboratory