5b,8,8,11a,13a-Pentamethyl-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydrophenanthro[1,2-g][1]benzofuran-4,13-diol
| Internal ID | a7edce8e-b4e6-4643-b47b-a5ad4320cfe8 |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | 5b,8,8,11a,13a-pentamethyl-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydrophenanthro[1,2-g][1]benzofuran-4,13-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H38O3/c1-22(2)9-6-10-23(3)17(22)7-11-24(4)18(23)14-20(27)25(5)19(24)13-16(26)15-8-12-28-21(15)25/h8,12,16-20,26-27H,6-7,9-11,13-14H2,1-5H3 |
| InChI Key | XSOUJAQEMFUBOT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H38O3 |
| Molecular Weight | 386.60 g/mol |
| Exact Mass | 386.28209507 g/mol |
| Topological Polar Surface Area (TPSA) | 53.60 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of 5b,8,8,11a,13a-Pentamethyl-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydrophenanthro[1,2-g][1]benzofuran-4,13-diol](https://plantaedb.com/storage/docs/compounds/2023/11/87254100-85c4-11ee-a55d-cb9fd9bc2c82.jpg "2D Structure of 5b,8,8,11a,13a-Pentamethyl-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydrophenanthro[1,2-g][1]benzofuran-4,13-diol")
| 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 | 96.05% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.11% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.48% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.65% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.95% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.18% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.32% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.71% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.77% | 95.56% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 80.23% | 99.29% |
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 | 74052570 |
| LOTUS | LTS0194719 |
| wikiData | Q105341145 |