6-hydroxy-1-methoxy-2-(3-methoxy-3-methylbut-1-enyl)-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one
| Internal ID | b26c5623-2c2b-49f6-9add-49709ade2f4c |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Diarylethers |
| IUPAC Name | 6-hydroxy-1-methoxy-2-(3-methoxy-3-methylbut-1-enyl)-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one |
| SMILES (Canonical) | CC1=CC2=C(C(=C1)O)OC3=C(C(=C(C=C3)C=CC(C)(C)OC)OC)C(=O)OC2 |
| SMILES (Isomeric) | CC1=CC2=C(C(=C1)O)OC3=C(C(=C(C=C3)C=CC(C)(C)OC)OC)C(=O)OC2 |
| InChI | InChI=1S/C22H24O6/c1-13-10-15-12-27-21(24)18-17(28-19(15)16(23)11-13)7-6-14(20(18)25-4)8-9-22(2,3)26-5/h6-11,23H,12H2,1-5H3 |
| InChI Key | JZRZUVUPQOWUMF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H24O6 |
| Molecular Weight | 384.40 g/mol |
| Exact Mass | 384.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 74.20 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of 6-hydroxy-1-methoxy-2-(3-methoxy-3-methylbut-1-enyl)-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one](https://plantaedb.com/storage/docs/compounds/2023/11/6-hydroxy-1-methoxy-2-3-methoxy-3-methylbut-1-enyl-8-methyl-10h-benzob15benzodioxocin-12-one.jpg "2D Structure of 6-hydroxy-1-methoxy-2-(3-methoxy-3-methylbut-1-enyl)-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-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 | 99.68% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.30% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.15% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.86% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.68% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.11% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.45% | 89.00% |
| CHEMBL1841 | P06241 | Tyrosine-protein kinase FYN | 92.36% | 81.29% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.97% | 85.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.07% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.91% | 99.23% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.00% | 93.40% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.77% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.53% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.76% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.30% | 99.17% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 82.74% | 80.78% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.65% | 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.
| There are no matching plants. |
| PubChem | 85055322 |
| LOTUS | LTS0080041 |
| wikiData | Q105137559 |