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Compound InformationSONAR Target prediction
Name:

15-NORCARYOPHYLLEN-3-ONE

Unique Identifier:SPE00300166
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C14H22O
Molecular Weight:184.149 g/mol
X log p:2.29  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:0
Canonical Smiles:CC1CCC2C(CC2(C)C)C(=O)CCC=1
Source:derivative

Found: 114 nonactive as graph: single | with analogs [1] << Back 101 102 103 104 105 106 107 108 109 110  Next >> [114]
Species: 4932
Condition: MKK1
Replicates: 2
Raw OD Value: r im 0.8950±0.039598
Normalized OD Score: sc h 1.0031±0.0152353
Z-Score: 0.1010±0.440156
p-Value: 0.756822
Z-Factor: -82.9626
Fitness Defect: 0.2786
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:21|G11
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.0995±0.00918
Plate DMSO Control (-):0.9702500000000001±0.02576
Plate Z-Factor:0.9332
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DBLink | Rows returned: 78<< Back 1 2 3 4 5 6 7 8 9 10  Next >> 
585828 bicyclo[3.2.2]non-6-en-3-one
608881 2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carbaldehyde
609030 1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carbaldehy
de
615883 10,13-dimethyl-17-pentan-2-yl-1,2,3,4,5,6,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-one
634360 17-(5-ethyl-6-methyl-heptan-2-yl)-10,13-dimethyl-1,2,4,5,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]p
henanthren-3-one
638986 (2S)-2,5-dimethyl-2-(4-oxopentyl)cyclohept-4-en-1-one

internal high similarity DBLink | Rows returned: 4
SPE01800109 0.9167
NRB 03735 0.9429
NRB 03822 0.9429
JFD 02026 0.9459

active | Cluster 8140 | Additional Members: 2 | Rows returned: 1
SPE01500842 0

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