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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 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.7127±0.0123744
Normalized OD Score: sc h 1.0038±0.0100658
Z-Score: 0.2104±0.550011
p-Value: 0.70364
Z-Factor: -21.7757
Fitness Defect: 0.3515
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|B8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.50 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.04165±0.00070
Plate DMSO Control (-):0.691225±0.02158
Plate Z-Factor:0.8986
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DBLink | Rows returned: 130[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [22]
5377867 7-hydroxy-6,7-dihydro-5H-inden-4-one
5743076 n/a
5743080 n/a
6428795 n/a
6429556 (3R,5S,11S)-3,11-dihydroxy-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-hexadecahydrocyclopenta[a]phenanthren-
17-one
6429557 (3R,5R,11S)-3,11-dihydroxy-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-hexadecahydrocyclopenta[a]phenanthren-
17-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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