(5aS,8aR)-4-methoxy-10-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
| Internal ID | b2cb5c48-597c-4d34-b745-dd030497261e |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans > Furanonaphthodioxoles |
| IUPAC Name | (5aS,8aR)-4-methoxy-10-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one |
| SMILES (Canonical) | COC1=CC(=CC(=C1OC)OC)C2=C3C(=C(C4=C2CC5C(C4)COC5=O)OC)OCO3 |
| SMILES (Isomeric) | COC1=CC(=CC(=C1OC)OC)C2=C3C(=C(C4=C2C[C@@H]5[C@H](C4)COC5=O)OC)OCO3 |
| InChI | InChI=1S/C23H24O8/c1-25-16-6-11(7-17(26-2)20(16)28-4)18-14-8-13-12(9-29-23(13)24)5-15(14)19(27-3)22-21(18)30-10-31-22/h6-7,12-13H,5,8-10H2,1-4H3/t12-,13-/m1/s1 |
| InChI Key | XOCRMEJCKVXIRT-CHWSQXEVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H24O8 |
| Molecular Weight | 428.40 g/mol |
| Exact Mass | 428.14711772 g/mol |
| Topological Polar Surface Area (TPSA) | 81.70 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of (5aS,8aR)-4-methoxy-10-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/8b26bda0-85a0-11ee-819b-5141f2b136d8.jpg "2D Structure of (5aS,8aR)-4-methoxy-10-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.78% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.37% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.53% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.01% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.94% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.76% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.64% | 94.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.46% | 83.82% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.08% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.07% | 91.11% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 87.18% | 82.67% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.52% | 97.14% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 85.78% | 99.18% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.56% | 94.45% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 84.14% | 92.38% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 83.99% | 92.98% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.19% | 95.89% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 82.82% | 95.53% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.43% | 93.40% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.87% | 92.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.73% | 93.99% |
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.
| Bursera permollis |
| PubChem | 162943308 |
| LOTUS | LTS0087049 |
| wikiData | Q105337705 |