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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 181 182 183 184 185 186 187 188 189 190  Next >> [192]
Species: 4932
Condition: UBP6
Replicates: 2
Raw OD Value: r im 0.6441±0.0245366
Normalized OD Score: sc h 1.0072±0.0183733
Z-Score: 0.3115±0.762003
p-Value: 0.607664
Z-Factor: -40.1028
Fitness Defect: 0.4981
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:24|F2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2008-01-24 YYYY-MM-DD
Plate CH Control (+):0.0427±0.00087
Plate DMSO Control (-):0.617425±0.01804
Plate Z-Factor:0.9075
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DBLink | Rows returned: 124<< Back 1 2 3 4 5 6 7 8 9 10  Next >> 
189565 (10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methyl-5-methylidene-heptan-2-yl]-1,2,5,6,7,11,12,
15,16,17-decahydrocyclopenta[a]phenanthren-3-one
195724 n/a
231043 n/a
256236 (5S,10S,13R,14R,17S)-17-acetyl-4,4,10,13,14-pentamethyl-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]p
henanthren-3-one
264500 4a-methyl-1,3,4,7,8,8a-hexahydronaphthalen-2-one
278309 4,4,10,13,14-pentamethyl-17-(6-methylheptan-2-yl)-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenant
hren-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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