4-(2-Methyl-6-prop-1-enyl-2,3-dihydro-1,4-benzodioxin-3-yl)benzene-1,3-diol
| Internal ID | 9030345e-d40f-42c0-8967-65eb1ebf7099 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxanes > Phenylbenzodioxanes > Phenylbenzo-1,4-dioxanes |
| IUPAC Name | 4-(2-methyl-6-prop-1-enyl-2,3-dihydro-1,4-benzodioxin-3-yl)benzene-1,3-diol |
| SMILES (Canonical) | CC=CC1=CC2=C(C=C1)OC(C(O2)C3=C(C=C(C=C3)O)O)C |
| SMILES (Isomeric) | CC=CC1=CC2=C(C=C1)OC(C(O2)C3=C(C=C(C=C3)O)O)C |
| InChI | InChI=1S/C18H18O4/c1-3-4-12-5-8-16-17(9-12)22-18(11(2)21-16)14-7-6-13(19)10-15(14)20/h3-11,18-20H,1-2H3 |
| InChI Key | ZSFCGNNMMPZMQV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H18O4 |
| Molecular Weight | 298.30 g/mol |
| Exact Mass | 298.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 58.90 Ų |
| XlogP | 3.90 |
| 666250-52-8 |
| 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 | 95.88% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.25% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.21% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.04% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.22% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.62% | 98.95% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 89.68% | 97.64% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.51% | 94.73% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 87.75% | 96.12% |
| CHEMBL3194 | P02766 | Transthyretin | 86.71% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.33% | 96.09% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 86.23% | 100.00% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 82.93% | 98.35% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 82.01% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.98% | 99.17% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.83% | 91.71% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.70% | 94.80% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.67% | 93.56% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 80.43% | 96.42% |
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.
| Rodgersia podophylla |
| Rodgersia sambucifolia |
| PubChem | 129317288 |
| LOTUS | LTS0135079 |
| wikiData | Q105382480 |