5-Methoxy-6-(3-methoxyprop-1-enyl)-1,3-benzodioxole
| Internal ID | a8991fe0-08e4-44a5-a949-380e91196d09 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | 5-methoxy-6-(3-methoxyprop-1-enyl)-1,3-benzodioxole |
| SMILES (Canonical) | COCC=CC1=CC2=C(C=C1OC)OCO2 |
| SMILES (Isomeric) | COCC=CC1=CC2=C(C=C1OC)OCO2 |
| InChI | InChI=1S/C12H14O4/c1-13-5-3-4-9-6-11-12(16-8-15-11)7-10(9)14-2/h3-4,6-7H,5,8H2,1-2H3 |
| InChI Key | QZYOCLVDEHOOLT-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C12H14O4 |
| Molecular Weight | 222.24 g/mol |
| Exact Mass | 222.08920892 g/mol |
| Topological Polar Surface Area (TPSA) | 36.90 Ų |
| XlogP | 2.00 |
| 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 | 96.22% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.83% | 96.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.02% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.76% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.47% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.36% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.60% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.83% | 99.17% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.58% | 89.62% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 85.02% | 85.30% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.70% | 95.56% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.14% | 94.80% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.00% | 93.99% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.52% | 89.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.12% | 94.73% |
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.
| Melicope denhamii |
| PubChem | 162866914 |
| LOTUS | LTS0123796 |
| wikiData | Q105232460 |