(1S,3R,9R,10S,13R)-3-methoxy-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one
| Internal ID | e954bc57-41d0-4acf-863a-aa7d8f5e3b76 |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | (1S,3R,9R,10S,13R)-3-methoxy-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one |
| SMILES (Canonical) | CC1CCC2C3(C1(CC4=C(C(=O)OC4(C3)OC)C)C)O2 |
| SMILES (Isomeric) | C[C@H]1CC[C@@H]2[C@]3([C@@]1(CC4=C(C(=O)O[C@@]4(C3)OC)C)C)O2 |
| InChI | InChI=1S/C16H22O4/c1-9-5-6-12-15(19-12)8-16(18-4)11(7-14(9,15)3)10(2)13(17)20-16/h9,12H,5-8H2,1-4H3/t9-,12+,14+,15+,16+/m0/s1 |
| InChI Key | HKAIYTYUJIXIHQ-HMZGLDLJSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C16H22O4 |
| Molecular Weight | 278.34 g/mol |
| Exact Mass | 278.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 48.10 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of (1S,3R,9R,10S,13R)-3-methoxy-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/a61727e0-85d9-11ee-8b6b-55c9f51b59ab.jpg "2D Structure of (1S,3R,9R,10S,13R)-3-methoxy-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 96.48% | 89.76% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.56% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.50% | 91.11% |
| CHEMBL1871 | P10275 | Androgen Receptor | 88.96% | 96.43% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.21% | 97.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.86% | 99.23% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 84.50% | 97.05% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.67% | 98.95% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 83.64% | 97.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.50% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.05% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.34% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.32% | 86.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.96% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.96% | 95.89% |
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.
| Senecio flavus |
| Senecio gallicus |
| Senecio nemorensis |
| PubChem | 11288945 |
| LOTUS | LTS0047117 |
| wikiData | Q105029568 |