(1R,2R,4R,5Z,13R,15R,17R,19S)-17-(furan-3-yl)-19-methyl-3,9,14,16-tetraoxapentacyclo[11.5.1.01,15.02,4.07,11]nonadeca-5,7(11)-dien-8-one
| Internal ID | c2dea981-3a61-4d28-bbae-5fb18e15cfa3 |
| Taxonomy | Organoheterocyclic compounds > Furofurans |
| IUPAC Name | (1R,2R,4R,5Z,13R,15R,17R,19S)-17-(furan-3-yl)-19-methyl-3,9,14,16-tetraoxapentacyclo[11.5.1.01,15.02,4.07,11]nonadeca-5,7(11)-dien-8-one |
| SMILES (Canonical) | CC1C2CC3=C(C=CC4C(C15CC(OC5O2)C6=COC=C6)O4)C(=O)OC3 |
| SMILES (Isomeric) | C[C@@H]1[C@H]2CC3=C(/C=C\[C@@H]4[C@@H]([C@@]15C[C@@H](O[C@H]5O2)C6=COC=C6)O4)C(=O)OC3 |
| InChI | InChI=1S/C20H20O6/c1-10-15-6-12-9-23-18(21)13(12)2-3-14-17(24-14)20(10)7-16(26-19(20)25-15)11-4-5-22-8-11/h2-5,8,10,14-17,19H,6-7,9H2,1H3/b3-2-/t10-,14-,15-,16-,17+,19-,20-/m1/s1 |
| InChI Key | MWPURVLYOLKTOU-FYKWJHGJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H20O6 |
| Molecular Weight | 356.40 g/mol |
| Exact Mass | 356.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 70.40 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of (1R,2R,4R,5Z,13R,15R,17R,19S)-17-(furan-3-yl)-19-methyl-3,9,14,16-tetraoxapentacyclo[11.5.1.01,15.02,4.07,11]nonadeca-5,7(11)-dien-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/9e458c30-85a4-11ee-ae20-7d9411aaccd6.jpg "2D Structure of (1R,2R,4R,5Z,13R,15R,17R,19S)-17-(furan-3-yl)-19-methyl-3,9,14,16-tetraoxapentacyclo[11.5.1.01,15.02,4.07,11]nonadeca-5,7(11)-dien-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 |
|---|---|---|---|---|
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.96% | 93.40% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.14% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.06% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.18% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.68% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.44% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.76% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.70% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.71% | 94.45% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 87.46% | 97.33% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.18% | 94.80% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.80% | 94.73% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.21% | 90.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.56% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.52% | 97.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.21% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.61% | 99.23% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.74% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.68% | 94.00% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 80.22% | 91.38% |
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 | 163046241 |
| LOTUS | LTS0169570 |
| wikiData | Q105173720 |