Aspewentin B
| Internal ID | b719549a-bb8f-42f2-bd6a-e39791e95009 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives > Phenanthrols |
| IUPAC Name | (2R)-2-ethenyl-10-hydroxy-2,8,8-trimethyl-4,5,6,7-tetrahydro-3H-phenanthren-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H24O2/c1-5-19(4)10-8-13-12-7-6-9-18(2,3)14(12)11-15(20)16(13)17(19)21/h5,11,20H,1,6-10H2,2-4H3/t19-/m0/s1 |
| InChI Key | WENUQQQZXYZRPA-IBGZPJMESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H24O2 |
| Molecular Weight | 284.40 g/mol |
| Exact Mass | 284.177630004 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 5.70 |
| 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 | 99.57% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.36% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.50% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.36% | 93.40% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.14% | 83.82% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.25% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.90% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.69% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.82% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.79% | 94.75% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 87.08% | 91.79% |
| CHEMBL1870 | P28702 | Retinoid X receptor beta | 84.80% | 95.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.56% | 91.07% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.96% | 100.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.84% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.45% | 89.00% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 81.44% | 99.43% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.18% | 82.38% |
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.
| There are no matching plants. |
| PubChem | 73774883 |
| LOTUS | LTS0061132 |
| wikiData | Q105303218 |