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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: BIK1
Replicates: 2
Raw OD Value: r im 0.6915±0.00551543
Normalized OD Score: sc h 1.0213±0.007842
Z-Score: 0.9365±0.351114
p-Value: 0.36372
Z-Factor: -5.69821
Fitness Defect: 1.0114
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:9|E2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.20 Celcius
Date:2007-11-08 YYYY-MM-DD
Plate CH Control (+):0.039875±0.00091
Plate DMSO Control (-):0.66355±0.02951
Plate Z-Factor:0.8592
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DBLink | Rows returned: 124<< Back 11 12 13 14 15 16 17 18 19 20  Next >> 
4338833 17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-1,2,4,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenan
thren-3-one
4426421 1,1,4,4-tetramethyl-4a,5,8,8a-tetrahydro-3H-naphthalen-2-one
4585785 1-(6-bicyclo[2.2.1]hept-2-enyl)propan-2-one
4589999 n/a
5059829 n/a
5201677 17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenan
thren-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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