Mappain
| Internal ID | d3902f29-c2af-4a6b-9fbe-8ee0b94575df |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes |
| IUPAC Name | 5-[(E)-2-[3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]-3-[(2E)-3,7-dimethylocta-2,6-dienyl]benzene-1,2-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H36O4/c1-19(2)7-6-8-21(5)10-13-24-15-22(18-28(32)29(24)33)11-12-23-16-26(30)25(27(31)17-23)14-9-20(3)4/h7,9-12,15-18,30-33H,6,8,13-14H2,1-5H3/b12-11+,21-10+ |
| InChI Key | GJZKDVGLDGLPMB-ZVBRSKEYSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C29H36O4 |
| Molecular Weight | 448.60 g/mol |
| Exact Mass | 448.26135963 g/mol |
| Topological Polar Surface Area (TPSA) | 80.90 Ų |
| XlogP | 8.50 |
| NSC716997 |
| CHEMBL515325 |
| SCHEMBL19717921 |
| NSC-716997 |
| 5-[(E)-2-[3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]-3-[(2E)-3,7-dimethylocta-2,6-dienyl]benzene-1,2-diol |
| 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 | 99.37% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.70% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.88% | 94.73% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 94.43% | 92.68% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.58% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.96% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.91% | 92.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.48% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.63% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 82.81% | 90.71% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 82.57% | 83.57% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.90% | 96.09% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 81.10% | 96.12% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.96% | 89.34% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.68% | 90.17% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.34% | 93.10% |
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.
| Macaranga mappa |
| PubChem | 5472227 |
| LOTUS | LTS0177095 |
| wikiData | Q105009671 |