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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: CKA2
Replicates: 2
Raw OD Value: r im 0.8579±0.0013435
Normalized OD Score: sc h 1.0093±0.000841657
Z-Score: 0.3352±0.0455449
p-Value: 0.737584
Z-Factor: -8.89079
Fitness Defect: 0.3044
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|B8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.90 Celcius
Date:2006-04-03 YYYY-MM-DD
Plate CH Control (+):0.038925±0.00148
Plate DMSO Control (-):0.8262749999999999±0.02539
Plate Z-Factor:0.8809
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DBLink | Rows returned: 130[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [22]
6453554 (5R,6R,8S,9S,10R,13R,14S,17S)-17-acetyl-6-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetra
decahydrocyclopenta[a]phenanthren-3-one
6543607 1-[(1R,2S,4aS,8aR)-2-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl]propan-2-one
6543697 (4aR,8S,8aS)-8-hydroxy-4a,8-dimethyl-decalin-2-one
6543735 (3R,5S,8S,9R,10S,13S,14S,17R)-3-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,1
6,17-tetradecahydrocyclopenta[a]phenanthren-6-one
6552875 (3R,5S,8R,9R,10R,13S,14S,17R)-3-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,14,15,16
,17-tetradecahydrocyclopenta[a]phenanthren-12-one
6565929 (2R,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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