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Compound InformationSONAR Target prediction
Name:

ERGOSTA-7,22-DIEN-3-ONE

Unique Identifier:SPE01800109
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:352.299 g/mol
X log p:8.157  (online calculus)
Lipinksi Failures1
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:4
Canonical Smiles:CC(C)C(C)C=CC(C)C1CCC2C3=CCC4CC(=O)CCC4(C)C3CCC12C
Class:sterol
Source:Fomes & Coriolis spp.
Reference:J Chem Soc (C)1971:685

Found: 192 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [192]
Species: 4932
Condition: BEM2
Replicates: 2
Raw OD Value: r im 0.6587±0.00183848
Normalized OD Score: sc h 1.0067±0.0103346
Z-Score: 1.6214±0.625385
p-Value: 0.138676
Z-Factor: -2.7559
Fitness Defect: 1.9756
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:9|E2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.10 Celcius
Date:2006-03-25 YYYY-MM-DD
Plate CH Control (+):0.041475000000000005±0.00169
Plate DMSO Control (-):0.6455±0.01334
Plate Z-Factor:0.9220
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DBLink | Rows returned: 124<< Back 11 12 13 14 15 16 17 18 19 20  Next >> 
6442030 (5E)-3-methylcyclohexadec-5-en-1-one
6442403 (E)-henicos-6-en-11-one
6506221 (5E)-cyclohexadec-5-en-1-one
6506496 (5E)-3-methylcyclohexadec-5-en-1-one
6566086 (5R,9R,10R,13S,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2S)-6-methylhept-5-en-2-yl]-1,2,5,6,9,11,12,15,16,
17-decahydrocyclopenta[a]phenanthren-3-one
6568581 (4aS,6aS,6bR,8aS,12aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,13,14-dodecahydro
-1H-picen-3-one

internal high similarity DBLink | Rows returned: 5
SPE00300166 0.9167
JFD 02026 0.9189
SPE01500849 0.9189
NRB 03735 0.9706
NRB 03822 0.9706

active | Cluster 5085 | Additional Members: 3 | Rows returned: 1
SPE00200743 0

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