10-[(2R)-butan-2-yl]-5-methoxy-2,2-dimethyl-6-[(E)-2-methylbut-2-enoyl]pyrano[2,3-f]chromen-8-one
| Internal ID | 15f0e77b-b5f7-46a2-bc3c-71603ba7526f |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Pyranocoumarins > Angular pyranocoumarins |
| IUPAC Name | 10-[(2R)-butan-2-yl]-5-methoxy-2,2-dimethyl-6-[(E)-2-methylbut-2-enoyl]pyrano[2,3-f]chromen-8-one |
| SMILES (Canonical) | CCC(C)C1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C(=C2C(=O)C(=CC)C)OC |
| SMILES (Isomeric) | CC[C@@H](C)C1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C(=C2C(=O)/C(=C/C)/C)OC |
| InChI | InChI=1S/C24H28O5/c1-8-13(3)16-12-17(25)28-23-18(16)22-15(10-11-24(5,6)29-22)21(27-7)19(23)20(26)14(4)9-2/h9-13H,8H2,1-7H3/b14-9+/t13-/m1/s1 |
| InChI Key | UQIWHSWPERPXAD-OZYJXZHSSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H28O5 |
| Molecular Weight | 396.50 g/mol |
| Exact Mass | 396.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of 10-[(2R)-butan-2-yl]-5-methoxy-2,2-dimethyl-6-[(E)-2-methylbut-2-enoyl]pyrano[2,3-f]chromen-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/10-2r-butan-2-yl-5-methoxy-22-dimethyl-6-e-2-methylbut-2-enoylpyrano23-fchromen-8-one.jpg "2D Structure of 10-[(2R)-butan-2-yl]-5-methoxy-2,2-dimethyl-6-[(E)-2-methylbut-2-enoyl]pyrano[2,3-f]chromen-8-one")
| 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 | 99.22% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.92% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.24% | 98.95% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 91.16% | 85.30% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.63% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.36% | 89.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 89.23% | 95.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.77% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.23% | 94.73% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.77% | 96.77% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.65% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.15% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.49% | 95.56% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.33% | 97.21% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.14% | 91.19% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.05% | 93.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.45% | 91.07% |
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.
| Calophyllum inophyllum |
| PubChem | 163189313 |
| LOTUS | LTS0038177 |
| wikiData | Q105277268 |