Methyl 5-methoxy-8,8-dimethyl-4-oxopyrano[2,3-h]chromene-2-carboxylate
| Internal ID | 2924c3e6-1183-4b76-a1a6-835b774d4104 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Pyranochromenes |
| IUPAC Name | methyl 5-methoxy-8,8-dimethyl-4-oxopyrano[2,3-h]chromene-2-carboxylate |
| SMILES (Canonical) | CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C=C(O3)C(=O)OC)C |
| SMILES (Isomeric) | CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C=C(O3)C(=O)OC)C |
| InChI | InChI=1S/C17H16O6/c1-17(2)6-5-9-11(23-17)8-12(20-3)14-10(18)7-13(16(19)21-4)22-15(9)14/h5-8H,1-4H3 |
| InChI Key | IFYVMQPOJYOIQB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H16O6 |
| Molecular Weight | 316.30 g/mol |
| Exact Mass | 316.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 71.10 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of Methyl 5-methoxy-8,8-dimethyl-4-oxopyrano[2,3-h]chromene-2-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-5-methoxy-88-dimethyl-4-oxopyrano23-hchromene-2-carboxylate.jpg "2D Structure of Methyl 5-methoxy-8,8-dimethyl-4-oxopyrano[2,3-h]chromene-2-carboxylate")
| 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 | 98.18% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.07% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.66% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.70% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.31% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.69% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.30% | 96.77% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 89.11% | 85.30% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.02% | 90.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 87.24% | 90.20% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 87.06% | 89.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.01% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.86% | 98.75% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 85.91% | 81.11% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.34% | 91.07% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.06% | 97.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.50% | 92.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.46% | 95.50% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 84.42% | 87.67% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.24% | 90.71% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 82.90% | 95.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.81% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.69% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.16% | 89.00% |
| CHEMBL239 | Q07869 | Peroxisome proliferator-activated receptor alpha | 80.27% | 90.75% |
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.
| Harrisonia perforata |
| PubChem | 15280400 |
| LOTUS | LTS0191764 |
| wikiData | Q105112478 |