(1S,4R,5R,7R,9S,10S,14R)-7-(furan-3-yl)-5,10-dihydroxy-9-methyl-6,16-dioxatetracyclo[8.7.0.01,14.04,9]heptadec-12-en-15-one
| Internal ID | 3e4810e3-8498-42f1-8d66-8b6d103cbb3f |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | (1S,4R,5R,7R,9S,10S,14R)-7-(furan-3-yl)-5,10-dihydroxy-9-methyl-6,16-dioxatetracyclo[8.7.0.01,14.04,9]heptadec-12-en-15-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H24O6/c1-18-9-15(12-5-8-24-10-12)26-17(22)13(18)4-7-19-11-25-16(21)14(19)3-2-6-20(18,19)23/h2-3,5,8,10,13-15,17,22-23H,4,6-7,9,11H2,1H3/t13-,14-,15+,17+,18-,19+,20-/m0/s1 |
| InChI Key | ZZEYREBRTKBREJ-DGFFPSKLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H24O6 |
| Molecular Weight | 360.40 g/mol |
| Exact Mass | 360.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 89.10 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of (1S,4R,5R,7R,9S,10S,14R)-7-(furan-3-yl)-5,10-dihydroxy-9-methyl-6,16-dioxatetracyclo[8.7.0.01,14.04,9]heptadec-12-en-15-one](https://plantaedb.com/storage/docs/compounds/2023/11/7dd00220-8554-11ee-a1cd-5fb9ed29d3e1.jpg "2D Structure of (1S,4R,5R,7R,9S,10S,14R)-7-(furan-3-yl)-5,10-dihydroxy-9-methyl-6,16-dioxatetracyclo[8.7.0.01,14.04,9]heptadec-12-en-15-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 | 96.19% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 95.48% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.80% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.02% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.48% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.44% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.73% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.14% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.53% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.52% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.30% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.99% | 90.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.90% | 96.77% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.41% | 95.89% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.94% | 95.93% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.71% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.58% | 94.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.33% | 96.43% |
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 leptostachys |
| PubChem | 15705464 |
| LOTUS | LTS0220340 |
| wikiData | Q105386754 |