| 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: |
MED2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5425±0.0126572 |
| Normalized OD Score: sc h |
1.0060±0.0218198 |
| Z-Score: |
0.2626±0.96585 |
| p-Value: |
0.509298 |
| Z-Factor: |
-10.7809 |
| Fitness Defect: |
0.6747 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 10|F3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.10 Celcius | | Date: | 2008-04-29 YYYY-MM-DD | | Plate CH Control (+): | 0.04165±0.00106 | | Plate DMSO Control (-): | 0.5324249999999999±0.02087 | | Plate Z-Factor: | 0.8645 |
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ps
pdf |
| 6437607 |
(E)-octadec-9-en-1-olate; titanium(+4) cation |
| 6437789 |
(E)-2-[(E)-hexadec-7-enyl]icos-11-en-1-ol |
| 6440428 |
(E)-octadec-13-en-1-ol |
| 6441076 |
(3S,4S,5S,8S,9S,10S,13R,14S,17R)-4,10,13-trimethyl-17-[(E,2S,5R)-4,5,6-trimethylhept-3-en-2-yl]-2,3,4,5,
6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 6453642 |
(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(E,2S,5S)-5-methylhept-3-en-2-yl]-2,3,4,5,6,7,8,9,11,12
,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 6455741 |
(3R,6aR,6bS,8aR,12aS,14aS,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-te
tradecahydropicen-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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