5-Methoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-3-methyl-7-prop-2-enyl-2,3-dihydro-1-benzofuran-6-ol
| Internal ID | bb515706-36c0-4924-a93a-24ea1d6ee853 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 5-methoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-3-methyl-7-prop-2-enyl-2,3-dihydro-1-benzofuran-6-ol |
| SMILES (Canonical) | CC1C(OC2=C(C(=C(C=C12)OC)O)CC=C)C3=CC4=C(C(=C3)OC)OCO4 |
| SMILES (Isomeric) | CC1C(OC2=C(C(=C(C=C12)OC)O)CC=C)C3=CC4=C(C(=C3)OC)OCO4 |
| InChI | InChI=1S/C21H22O6/c1-5-6-13-18(22)15(23-3)9-14-11(2)19(27-20(13)14)12-7-16(24-4)21-17(8-12)25-10-26-21/h5,7-9,11,19,22H,1,6,10H2,2-4H3 |
| InChI Key | CUHMKTJOBOYMIQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H22O6 |
| Molecular Weight | 370.40 g/mol |
| Exact Mass | 370.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 66.40 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
| 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 | 99.66% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.21% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.80% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.90% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.81% | 92.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.91% | 95.56% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 87.92% | 95.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.69% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.72% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.80% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.94% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.31% | 99.17% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.04% | 89.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.72% | 95.89% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.67% | 89.62% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.59% | 96.77% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.50% | 92.94% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.16% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.00% | 90.00% |
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 taubertiana |
| PubChem | 162907472 |
| LOTUS | LTS0194359 |
| wikiData | Q103818046 |