| Compound Information | SONAR Target prediction | | Name: | beta-AMYRIN | | Unique Identifier: | SPE00100360 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 376.32 g/mol | | X log p: | 2.864 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 1 | | Rotatable Bond Count: | 0 | | Canonical Smiles: | CC1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 | | Class: | triterpene | | Source: | widespread in plants | | Reference: | Phytochemistry 9: 1669 (1970) | | Generic_name: | 16,17-ANDROSTENE-3-OL | | Chemical_iupac_name: | 16,17-ANDROSTENE-3-OL | | Drug_type: | Experimental | | Drugbank_id: | EXPT00580 | | Logp: | 4.38 | | Drug_category: | Constitutive Androstane Receptor inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
CIN8 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6658±0.00410122 |
| Normalized OD Score: sc h |
0.9968±0.00574557 |
| Z-Score: |
0.3736±0.307954 |
| p-Value: |
0.715246 |
| Z-Factor: |
-20.4865 |
| Fitness Defect: |
0.3351 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 10|F3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 22.40 Celcius | | Date: | 2008-02-06 YYYY-MM-DD | | Plate CH Control (+): | 0.041225±0.00079 | | Plate DMSO Control (-): | 0.65445±0.01966 | | Plate Z-Factor: | 0.9043 |
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ps
pdf |
| 5318287 |
(3S,6aR,8aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropi
cen-3-ol |
| 5319079 |
(3S,5S,10S,13R,17R)-17-[(E,2S,5S)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15
,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 5319553 |
17-[(5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[
a]phenanthren-3-ol |
| 5321480 |
(3S,10S)-17-[(E)-4,5-dimethylhex-2-enyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro
-1H-cyclopenta[a]phenanthren-3-ol |
| 5321514 |
(3S,10S,13R)-17-[(E)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-t
etradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 5321628 |
(3S,6aR,6aR,8aS,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahy
dro-1H-picen-3-ol |
| internal high similarity DBLink | Rows returned: 8 | 1 2 Next >> |
| active | Cluster 1623 | Additional Members: 8 | Rows returned: 5 | |
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