16-(Furan-3-yl)-18-methyl-8,13,15-trioxapentacyclo[10.5.1.01,14.02,10.06,10]octadec-3-en-7-one
| Internal ID | 0be53d60-b568-49e5-8e2c-3457cbfe527b |
| Taxonomy | Organoheterocyclic compounds > Furofurans |
| IUPAC Name | 16-(furan-3-yl)-18-methyl-8,13,15-trioxapentacyclo[10.5.1.01,14.02,10.06,10]octadec-3-en-7-one |
| SMILES (Canonical) | CC1C2CC34COC(=O)C3CC=CC4C15CC(OC5O2)C6=COC=C6 |
| SMILES (Isomeric) | CC1C2CC34COC(=O)C3CC=CC4C15CC(OC5O2)C6=COC=C6 |
| InChI | InChI=1S/C20H22O5/c1-11-14-7-19-10-23-17(21)13(19)3-2-4-16(19)20(11)8-15(25-18(20)24-14)12-5-6-22-9-12/h2,4-6,9,11,13-16,18H,3,7-8,10H2,1H3 |
| InChI Key | JQHRRMYSQRDDFZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22O5 |
| Molecular Weight | 342.40 g/mol |
| Exact Mass | 342.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 57.90 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of 16-(Furan-3-yl)-18-methyl-8,13,15-trioxapentacyclo[10.5.1.01,14.02,10.06,10]octadec-3-en-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/16-furan-3-yl-18-methyl-81315-trioxapentacyclo1051011402100610octadec-3-en-7-one.jpg "2D Structure of 16-(Furan-3-yl)-18-methyl-8,13,15-trioxapentacyclo[10.5.1.01,14.02,10.06,10]octadec-3-en-7-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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.83% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.41% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.98% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.48% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.29% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.06% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.38% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.02% | 97.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.44% | 94.80% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.18% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.94% | 93.40% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.11% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.40% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.02% | 94.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.34% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.26% | 97.14% |
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.
| Salvia polystachya |
| PubChem | 132583510 |
| LOTUS | LTS0089305 |
| wikiData | Q105133482 |