Paepalantine
| Internal ID | fa5fc32a-0a75-41fa-bcba-60a1e7b9afde |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones |
| IUPAC Name | 9,10-dihydroxy-5,7-dimethoxy-3-methylbenzo[g]isochromen-1-one |
| SMILES (Canonical) | CC1=CC2=C(C(=C3C(=CC(=CC3=C2OC)OC)O)O)C(=O)O1 |
| SMILES (Isomeric) | CC1=CC2=C(C(=C3C(=CC(=CC3=C2OC)OC)O)O)C(=O)O1 |
| InChI | InChI=1S/C16H14O6/c1-7-4-9-13(16(19)22-7)14(18)12-10(15(9)21-3)5-8(20-2)6-11(12)17/h4-6,17-18H,1-3H3 |
| InChI Key | VOYHBEQAOUCNID-UHFFFAOYSA-N |
| Popularity | 9 references in papers |
| Molecular Formula | C16H14O6 |
| Molecular Weight | 302.28 g/mol |
| Exact Mass | 302.07903816 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 3.30 |
| 133740-20-2 |
| 9,10-dihydroxy-5,7-dimethoxy-3-methylbenzo[g]isochromen-1-one |
| DTXSID10158349 |
| 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 | 98.85% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.59% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.01% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.16% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.87% | 85.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.44% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.24% | 94.73% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 88.10% | 93.65% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.41% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.07% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.10% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.96% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.89% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.60% | 86.33% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 82.28% | 94.42% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.09% | 94.45% |
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.
| Paepalanthus bromelioides |
| Paepalanthus vellozioides |
| PubChem | 5472703 |
| LOTUS | LTS0259241 |
| wikiData | Q83026593 |