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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: 184 nonactive | as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> [184]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.7219±0.000989949
Normalized OD Score: sc h 1.0171±0.00908979
Z-Score: 0.9235±0.479889
p-Value: 0.382872
Z-Factor: -5.46556
Fitness Defect: 0.9601
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|G8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.50 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.04165±0.00070
Plate DMSO Control (-):0.691225±0.02158
Plate Z-Factor:0.8986
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DBLink | Rows returned: 342 3 4 5 6 Next >> 
101705 17-(5-ethyl-6-methyl-hept-3-en-2-yl)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]
phenanthren-3-ol
247705 17-(5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phena
nthren-3-ol
439550 (3S,9R,10R,13S,14R,17R)-17-[(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
439812 (3S)-10,13-dimethyl-17-(6-methyl-5-methylidene-hept-3-en-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cy
clopenta[a]phenanthren-3-ol
440671 10,13-dimethyl-17-(6-methyl-5-methylidene-hept-3-en-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclope
nta[a]phenanthren-3-ol
444679 (3S,9R,10R,13S,14R,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

internal high similarity DBLink | Rows returned: 1
SPE01500276 0.9020

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

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