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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 11 12 13 14 15 16 17 18 19 20  Next >> [205]
Species: 4932
Condition: CDC73
Replicates: 2
Raw OD Value: r im 0.4360±0.00106066
Normalized OD Score: sc h 1.0493±0.0558873
Z-Score: 1.2053±1.34436
p-Value: 0.415042
Z-Factor: -5.77997
Fitness Defect: 0.8794
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|B8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.60 Celcius
Date:2007-09-19 YYYY-MM-DD
Plate CH Control (+):0.040175±0.00081
Plate DMSO Control (-):0.4094±0.04585
Plate Z-Factor:0.6106
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DBLink | Rows returned: 130[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [22]
551583 4-hydroxy-3,3,5,5-tetramethyl-cyclohexan-1-one
558961 1-(5-hydroxy-2,2,6-trimethyl-cyclohexyl)ethanone
574055 5-hydroxy-4a-methyl-decalin-1-one
574205 5-hydroxy-8a-methyl-decalin-1-one
578149 4-(hydroxymethyl)adamantan-2-one
591896 1-(3-hydroxy-1-adamantyl)ethanone

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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