(4aS,5S,7R,10aS)-7-ethenyl-5-hydroxy-1,1,7-trimethyl-3,4,4a,5,6,8,10,10a-octahydro-2H-phenanthren-9-one
| Internal ID | 96c3f235-aad1-4dbd-8d3c-d18f30863c8c |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives > Hydrophenanthrenes |
| IUPAC Name | (4aS,5S,7R,10aS)-7-ethenyl-5-hydroxy-1,1,7-trimethyl-3,4,4a,5,6,8,10,10a-octahydro-2H-phenanthren-9-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H28O2/c1-5-19(4)10-13-15(20)9-14-12(17(13)16(21)11-19)7-6-8-18(14,2)3/h5,12,14,16,21H,1,6-11H2,2-4H3/t12-,14-,16-,19+/m0/s1 |
| InChI Key | AIBBWOAHJMGWDA-BCRCDCHUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H28O2 |
| Molecular Weight | 288.40 g/mol |
| Exact Mass | 288.208930132 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.94% | 91.11% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 91.36% | 97.05% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.47% | 96.09% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 89.77% | 93.04% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.46% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.43% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.43% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.39% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.16% | 92.94% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.03% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.91% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.71% | 95.89% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.03% | 91.03% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.84% | 93.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.60% | 98.95% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.00% | 93.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.77% | 96.43% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Vellozia nanuzae |
| Vellozia pusilla |
| PubChem | 162857537 |
| LOTUS | LTS0072421 |
| wikiData | Q104912607 |