(1S,2S,3S,4S,8S,10S,13S)-8-hydroxy-2-methoxy-3,4,13-trimethyl-11,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradecan-12-one
| Internal ID | e0cc812f-a5ad-4ac9-85ca-80d0259d8efd |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | (1S,2S,3S,4S,8S,10S,13S)-8-hydroxy-2-methoxy-3,4,13-trimethyl-11,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradecan-12-one |
| SMILES (Canonical) | CC1CCCC2(C1(C(C34C(C(=O)OC3(C2)O4)C)OC)C)O |
| SMILES (Isomeric) | C[C@H]1CCC[C@]2([C@@]1([C@@H]([C@@]34[C@@H](C(=O)O[C@]3(C2)O4)C)OC)C)O |
| InChI | InChI=1S/C16H24O5/c1-9-6-5-7-14(18)8-15-16(21-15,10(2)11(17)20-15)12(19-4)13(9,14)3/h9-10,12,18H,5-8H2,1-4H3/t9-,10+,12-,13-,14-,15+,16-/m0/s1 |
| InChI Key | RCRSNYJKAOYZJJ-WBIJKHACSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H24O5 |
| Molecular Weight | 296.36 g/mol |
| Exact Mass | 296.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 68.30 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of (1S,2S,3S,4S,8S,10S,13S)-8-hydroxy-2-methoxy-3,4,13-trimethyl-11,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradecan-12-one](https://plantaedb.com/storage/docs/compounds/2023/11/778c9f80-8627-11ee-8e0a-bfabafea2662.jpg "2D Structure of (1S,2S,3S,4S,8S,10S,13S)-8-hydroxy-2-methoxy-3,4,13-trimethyl-11,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradecan-12-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 | 95.34% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.86% | 97.25% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.33% | 92.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.16% | 96.09% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 87.50% | 97.05% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.48% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.43% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.17% | 95.56% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.94% | 96.43% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.27% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.59% | 99.23% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.56% | 95.71% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.73% | 97.14% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.97% | 82.69% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.66% | 95.89% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.63% | 93.04% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.14% | 89.00% |
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.
| Farfugium japonicum |
| PubChem | 15450281 |
| LOTUS | LTS0233345 |
| wikiData | Q105022824 |