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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 161 162 163 164 165 166 167 168 169 170  Next >> [205]
Species: 4932
Condition: RPA49
Replicates: 2
Raw OD Value: r im 0.5429±0.0433456
Normalized OD Score: sc h 0.9512±0.0106423
Z-Score: -1.7273±0.442139
p-Value: 0.0992534
Z-Factor: -2.39437
Fitness Defect: 2.3101
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|G7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.20 Celcius
Date:2007-12-13 YYYY-MM-DD
Plate CH Control (+):0.040900000000000006±0.00092
Plate DMSO Control (-):0.557975±0.02426
Plate Z-Factor:0.9120
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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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