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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 171 172 173 174 175 176 177 178 179 180  Next >> [205]
Species: 4932
Condition: SSE1
Replicates: 2
Raw OD Value: r im 0.4162±0.0252437
Normalized OD Score: sc h 0.9699±0.0222919
Z-Score: -0.7992±0.54514
p-Value: 0.457594
Z-Factor: -3.75032
Fitness Defect: 0.7818
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|G7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.60 Celcius
Date:2008-05-01 YYYY-MM-DD
Plate CH Control (+):0.041125±0.00127
Plate DMSO Control (-):0.41065±0.02097
Plate Z-Factor:0.8202
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DBLink | Rows returned: 130[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [22]
3012236 n/a
3012242 n/a
3012483 n/a
3607371 n/a
3875236 1-(2-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl)propan-2-one
4075202 8-hydroxy-4a,8-dimethyl-decalin-2-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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