[8a-hydroxy-6-oxo-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5a-yl] acetate
| Internal ID | fac7b344-2069-4c2f-9e20-d16e5ab4c2f0 |
| Taxonomy | Lignans, neolignans and related compounds > Lignan lactones |
| IUPAC Name | [8a-hydroxy-6-oxo-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5a-yl] acetate |
| SMILES (Canonical) | CC(=O)OC12C(C3=CC4=C(C=C3CC1(COC2=O)O)OCO4)C5=CC(=C(C(=C5)OC)OC)OC |
| SMILES (Isomeric) | CC(=O)OC12C(C3=CC4=C(C=C3CC1(COC2=O)O)OCO4)C5=CC(=C(C(=C5)OC)OC)OC |
| InChI | InChI=1S/C24H24O10/c1-12(25)34-24-20(13-5-18(28-2)21(30-4)19(6-13)29-3)15-8-17-16(32-11-33-17)7-14(15)9-23(24,27)10-31-22(24)26/h5-8,20,27H,9-11H2,1-4H3 |
| InChI Key | POIAZYKALWSBHF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H24O10 |
| Molecular Weight | 472.40 g/mol |
| Exact Mass | 472.13694696 g/mol |
| Topological Polar Surface Area (TPSA) | 119.00 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of [8a-hydroxy-6-oxo-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5a-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/75d7bb00-859a-11ee-9bad-cb5e75899a3b.jpg "2D Structure of [8a-hydroxy-6-oxo-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5a-yl] acetate")
| 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 | 99.72% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.84% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.59% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.57% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.32% | 96.77% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.96% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.33% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.92% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.11% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.38% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.07% | 95.56% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.84% | 94.80% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.22% | 97.09% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.03% | 89.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.86% | 90.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.81% | 97.25% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.15% | 91.19% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.61% | 97.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.58% | 100.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 81.99% | 82.67% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 81.06% | 80.96% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 80.46% | 96.86% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.24% | 94.00% |
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.
| Commiphora erlangeriana |
| PubChem | 85293474 |
| LOTUS | LTS0216535 |
| wikiData | Q105212420 |