[1-Hydroxy-6,6,9a-trimethyl-8-(2-methylbut-2-enoyloxy)-1,3,5,5a,7,8,9,9b-octahydrobenzo[e][2]benzofuran-7-yl] 2-methylpentanoate
| Internal ID | a80187b2-7495-4a9f-a3cc-9d12f1917840 |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | [1-hydroxy-6,6,9a-trimethyl-8-(2-methylbut-2-enoyloxy)-1,3,5,5a,7,8,9,9b-octahydrobenzo[e][2]benzofuran-7-yl] 2-methylpentanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H40O6/c1-8-10-16(4)23(28)32-21-18(31-22(27)15(3)9-2)13-26(7)19(25(21,5)6)12-11-17-14-30-24(29)20(17)26/h9,11,16,18-21,24,29H,8,10,12-14H2,1-7H3 |
| InChI Key | KTMAHCPMPKRWOV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H40O6 |
| Molecular Weight | 448.60 g/mol |
| Exact Mass | 448.28248899 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of [1-Hydroxy-6,6,9a-trimethyl-8-(2-methylbut-2-enoyloxy)-1,3,5,5a,7,8,9,9b-octahydrobenzo[e][2]benzofuran-7-yl] 2-methylpentanoate](https://plantaedb.com/storage/docs/compounds/2023/11/cd855310-8679-11ee-97bf-03f7b0d94100.jpg "2D Structure of [1-Hydroxy-6,6,9a-trimethyl-8-(2-methylbut-2-enoyloxy)-1,3,5,5a,7,8,9,9b-octahydrobenzo[e][2]benzofuran-7-yl] 2-methylpentanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.62% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.02% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.38% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.20% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.87% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.69% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.17% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.53% | 97.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.42% | 93.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.70% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.69% | 90.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.17% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.97% | 95.56% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 81.24% | 80.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.78% | 91.24% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.53% | 97.21% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.21% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.06% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.04% | 95.89% |
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.
| Persicaria glabra |
| PubChem | 162875340 |
| LOTUS | LTS0122603 |
| wikiData | Q105145855 |