2-(4-Hydroxy-3-methoxyphenyl)-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
| Internal ID | cb0e562f-f146-43f5-9b9f-d4f79adbdc2b |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde |
| SMILES (Canonical) | CC1C(OC2=C1C=C(C=C2OC)C=O)C3=CC(=C(C=C3)O)OC |
| SMILES (Isomeric) | CC1C(OC2=C1C=C(C=C2OC)C=O)C3=CC(=C(C=C3)O)OC |
| InChI | InChI=1S/C18H18O5/c1-10-13-6-11(9-19)7-16(22-3)18(13)23-17(10)12-4-5-14(20)15(8-12)21-2/h4-10,17,20H,1-3H3 |
| InChI Key | CGGSDUVYXCMYHX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H18O5 |
| Molecular Weight | 314.30 g/mol |
| Exact Mass | 314.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 65.00 Ų |
| XlogP | 2.80 |
| 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 | 98.02% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.26% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.27% | 96.09% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 94.02% | 98.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.59% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.53% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.42% | 85.14% |
| CHEMBL3194 | P02766 | Transthyretin | 89.07% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.49% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.01% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.96% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.73% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.14% | 98.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.50% | 95.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.46% | 96.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.18% | 97.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.89% | 90.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.75% | 89.62% |
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.
| Cynara cardunculus |
| Machilus thunbergii |
| Ocotea porosa |
| PubChem | 15098590 |
| LOTUS | LTS0169286 |
| wikiData | Q105125904 |