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Compound InformationSONAR Target prediction
Name:

ZEORIN

Unique Identifier:SPE01800055
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C30H52O2
Molecular Weight:394.336 g/mol
X log p:-0.0620000000000002  (online calculus)
Lipinksi Failures0
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:1
Canonical Smiles:CC(C)(O)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3C(O)CC21C
Source:ex various lichens, e.g., Anaptychia species
Reference:Bull Soc Chim 1963: 1702
Generic_name:5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL
Chemical_iupac_name:5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL
Drug_type:Experimental
Drugbank_id:EXPT00530
Logp:3.73
Drug_category:Sex Hormone-Binding Globulin inhibitor
Organisms_affected:-1

Found: 101 nonactive as graph: single | with analogs [1] << Back 81 82 83 84 85 86 87 88 89 90  Next >> [101]
Species: 4932
Condition: TEP1
Replicates: 2
Raw OD Value: r im 0.6171±0.00523259
Normalized OD Score: sc h 1.0007±0.00706854
Z-Score: 0.0129±0.187561
p-Value: 0.894498
Z-Factor: -269.685
Fitness Defect: 0.1115
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|H3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.40 Celcius
Date:2005-12-23 YYYY-MM-DD
Plate CH Control (+):0.038825±0.00155
Plate DMSO Control (-):0.601325±0.02069
Plate Z-Factor:0.8832
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DBLink | Rows returned: 20372 3 4 5 6 7 8 9 10  Next >> [340]
957 octan-1-ol
1107 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-3-ol
1213 4,8a-dimethyldecalin-4a-ol
1254 5-methyl-2-propan-2-yl-cyclohexan-1-ol
2682 hexadecan-1-ol
3240 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a
]phenanthren-3-ol

internal high similarity DBLink | Rows returned: 38<< Back 1 2 3 4 5 6 7 Next >> 
SPE00300105 1.0000
SPE01503134 1.0000
SPE00107100 1.0000
NRB 02140 1.0000
NRB 01891 1.0000
BTB 12891 1.0000

active | Cluster 466 | Additional Members: 1 | Rows returned: 0

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