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Compound InformationSONAR 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 Failures0
TPSA17.07
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] << Back 111 112 113 114 115 116 117 118 119 120  Next >> [205]
Species: 4932
Condition: CHS7
Replicates: 2
Raw OD Value: r im 0.5536±0.0137886
Normalized OD Score: sc h 0.9603±0.0198687
Z-Score: -1.3027±0.742302
p-Value: 0.252134
Z-Factor: -1.97465
Fitness Defect: 1.3778
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|G7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.80 Celcius
Date:2008-02-21 YYYY-MM-DD
Plate CH Control (+):0.040325±0.00089
Plate DMSO Control (-):0.5615749999999999±0.01027
Plate Z-Factor:0.9362
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DBLink | Rows returned: 130[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [22]
7039171 n/a
7067833 n/a
7067834 n/a
7067835 n/a
7067836 n/a
7095735 (2S,4S,5S)-4-hydroxy-2,5-ditert-butyl-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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