2-Methoxy-4-(5-methoxy-3-methyl-7-prop-1-enyl-2,3-dihydro-1,4-benzodioxin-2-yl)phenol
| Internal ID | 88d1c782-a9d2-49db-9d7a-4c6b3cf31409 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxanes > Phenylbenzodioxanes > Phenylbenzo-1,4-dioxanes |
| IUPAC Name | 2-methoxy-4-(5-methoxy-3-methyl-7-prop-1-enyl-2,3-dihydro-1,4-benzodioxin-2-yl)phenol |
| SMILES (Canonical) | CC=CC1=CC2=C(C(=C1)OC)OC(C(O2)C3=CC(=C(C=C3)O)OC)C |
| SMILES (Isomeric) | CC=CC1=CC2=C(C(=C1)OC)OC(C(O2)C3=CC(=C(C=C3)O)OC)C |
| InChI | InChI=1S/C20H22O5/c1-5-6-13-9-17(23-4)20-18(10-13)25-19(12(2)24-20)14-7-8-15(21)16(11-14)22-3/h5-12,19,21H,1-4H3 |
| InChI Key | HDXJIAOVHJAFLG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22O5 |
| Molecular Weight | 342.40 g/mol |
| Exact Mass | 342.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 57.20 Ų |
| XlogP | 4.20 |
| 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 | 98.86% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.23% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.77% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.22% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.97% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.61% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.33% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 85.19% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.80% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.06% | 85.14% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 80.99% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.52% | 97.14% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 80.37% | 96.86% |
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.
| Iryanthera paraensis |
| PubChem | 162929431 |
| LOTUS | LTS0212037 |
| wikiData | Q105026654 |