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Compound InformationSONAR Target prediction
Name:

ERGOSTEROL

Unique Identifier:SPE00200743
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:352.299 g/mol
X log p:9.518  (online calculus)
Lipinksi Failures1
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:4
Canonical Smiles:CC(C)C(C)C=CC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C
Class:sterol
Source:yeast
Reference:J Biol Chem 80: 15 (1928)
Generic_name:ERGOSTEROL
Chemical_iupac_name:ERGOSTEROL
Drug_type:Experimental
Kegg_compound_id:C01694
Drugbank_id:EXPT01357
Logp:6.804
Cas_registry_number:57-87-4
Drug_category:Beta-Cryptogein inhibitor
Organisms_affected:-1

Found: 23 active | as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> [23]
Species: 4932
Condition: CDC73
Replicates: 2
Raw OD Value: r im 0.2768±0.0119501
Normalized OD Score: sc h 0.6660±0.00730174
Z-Score: -8.4284±0.626193
p-Value: 6.99562e-16
Z-Factor: -0.158723
Fitness Defect: 34.8961
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|G8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.60 Celcius
Date:2007-09-19 YYYY-MM-DD
Plate CH Control (+):0.040175±0.00081
Plate DMSO Control (-):0.4094±0.04585
Plate Z-Factor:0.6106
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DBLink | Rows returned: 34<< Back 1 2 3 4 5 6 Next >> 
6440961 (3S,9R,10R,13S,14R,17R)-10,13-dimethyl-17-[(E,2S)-6-methylhept-3-en-2-yl]-2,3,4,9,11,12,14,15,16,17-deca
hydro-1H-cyclopenta[a]phenanthren-3-ol
6475768 (3S,9R,10R,13S,14R,17R)-17-[(E,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-
decahydro-1H-cyclopenta[a]phenanthren-3-ol
6567573 (3S,9R,10S,13R,14S,17R)-17-[(E,2S,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,
17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
6713013 (9S,10R,13R,14S,17R)-17-[(2S,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-de
cahydro-1H-cyclopenta[a]phenanthren-3-ol
6713713 (9R,10R,13R,14S,17S)-17-[(2S,5S)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-de
cahydro-1H-cyclopenta[a]phenanthren-3-ol
7067891 (3S,9S,10R,13S,14R,17R)-17-[(E,2S,5S)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,
17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

internal high similarity DBLink | Rows returned: 1
SPE01500276 0.9020

nonactive | Cluster 5085 | Additional Members: 3 | Rows returned: 2
SPE01800109 0.5
SPE00200744 0.390243902439024

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