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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 181 182 183 184 185 186 187 188 189 190  Next >> [205]
Species: 4932
Condition: VAM3
Replicates: 2
Raw OD Value: r im 0.5788±0.0409415
Normalized OD Score: sc h 0.9621±0.00832054
Z-Score: -1.1473±0.199627
p-Value: 0.25599
Z-Factor: -2.53479
Fitness Defect: 1.3626
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|G7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.20 Celcius
Date:2008-04-09 YYYY-MM-DD
Plate CH Control (+):0.04005±0.00064
Plate DMSO Control (-):0.58765±0.02351
Plate Z-Factor:0.8526
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DBLink | Rows returned: 130[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [22]
7099989 (3S,5S,8S,9R,10S,13R,14R,17S)-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
7099990 (3S,5S,8S,9S,10S,13R,14S,17S)-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
7099991 (3S,5S,8S,9S,10S,13R,14R,17S)-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
7121440 (3S,5S,8S,9R,10R,13R,14S,17S)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,7,8,9,11,
12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
7121441 (3S,5S,8S,9R,10R,13R,14S,17S)-3-hydroxy-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-1,2,3,4,5,7,8,9,11,
12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
7121442 (3S,5S,8S,9R,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,7,8,9,11,
12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-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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