5,7-Dimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-3-methyl-3a-prop-2-enyl-2,3,4,5-tetrahydro-1-benzofuran-6-one
| Internal ID | 60a3c902-e751-4fbd-902d-a1c715371d69 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | 5,7-dimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-3-methyl-3a-prop-2-enyl-2,3,4,5-tetrahydro-1-benzofuran-6-one |
| SMILES (Canonical) | CC1C(OC2=C(C(=O)C(CC12CC=C)OC)OC)C3=CC4=C(C(=C3)OC)OCO4 |
| SMILES (Isomeric) | CC1C(OC2=C(C(=O)C(CC12CC=C)OC)OC)C3=CC4=C(C(=C3)OC)OCO4 |
| InChI | InChI=1S/C22H26O7/c1-6-7-22-10-16(25-4)17(23)20(26-5)21(22)29-18(12(22)2)13-8-14(24-3)19-15(9-13)27-11-28-19/h6,8-9,12,16,18H,1,7,10-11H2,2-5H3 |
| InChI Key | HUPGTAGQEXENPN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H26O7 |
| Molecular Weight | 402.40 g/mol |
| Exact Mass | 402.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 72.40 Ų |
| XlogP | 3.50 |
| CHEBI:181762 |
| 5,7-Dimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-3-methyl-3a-prop-2-enyl-2,3,4,5-tetrahydro-1-benzofuran-6-one |
| 5,7-dimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-3-methyl-3a-prop-2-enyl-2,3,4,5-tetrahydro-1-benzouran-6-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.28% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.88% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.00% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.76% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.37% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.73% | 92.62% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.30% | 96.77% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.03% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.54% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.28% | 89.00% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 85.55% | 92.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.14% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.99% | 94.45% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 84.69% | 97.05% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 84.33% | 95.55% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.30% | 82.38% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.61% | 94.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.25% | 89.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.63% | 94.73% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.54% | 93.40% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.92% | 96.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.65% | 96.00% |
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.
| Aniba ferrea |
| PubChem | 57411140 |
| LOTUS | LTS0196743 |
| wikiData | Q104168417 |