(1R,8S,10S)-3-(hydroxymethyl)-1,8-dimethyl-5,9,15-trioxatetracyclo[11.2.1.02,6.08,10]hexadeca-2(6),3,13(16)-trien-14-one
| Internal ID | 907835f6-0ab4-4c33-ae45-8f1489083da5 |
| Taxonomy | Organoheterocyclic compounds > Dihydrofurans > Furanones > Butenolides |
| IUPAC Name | (1R,8S,10S)-3-(hydroxymethyl)-1,8-dimethyl-5,9,15-trioxatetracyclo[11.2.1.02,6.08,10]hexadeca-2(6),3,13(16)-trien-14-one |
| SMILES (Canonical) | CC12CC3=C(C(=CO3)CO)C4(C=C(CCC1O2)C(=O)O4)C |
| SMILES (Isomeric) | C[C@]12CC3=C(C(=CO3)CO)[C@]4(C=C(CC[C@@H]1O2)C(=O)O4)C |
| InChI | InChI=1S/C16H18O5/c1-15-6-11-13(10(7-17)8-19-11)16(2)5-9(14(18)21-16)3-4-12(15)20-15/h5,8,12,17H,3-4,6-7H2,1-2H3/t12-,15-,16+/m0/s1 |
| InChI Key | YSNWRSNYVWUHBG-VBNZEHGJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H18O5 |
| Molecular Weight | 290.31 g/mol |
| Exact Mass | 290.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 72.20 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of (1R,8S,10S)-3-(hydroxymethyl)-1,8-dimethyl-5,9,15-trioxatetracyclo[11.2.1.02,6.08,10]hexadeca-2(6),3,13(16)-trien-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/91878a30-848f-11ee-935f-7966bb3bc79d.jpg "2D Structure of (1R,8S,10S)-3-(hydroxymethyl)-1,8-dimethyl-5,9,15-trioxatetracyclo[11.2.1.02,6.08,10]hexadeca-2(6),3,13(16)-trien-14-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 | 96.87% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.33% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.40% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.87% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.70% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.60% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.89% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.00% | 97.25% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.12% | 95.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.91% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.65% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.11% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.04% | 92.62% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.98% | 90.08% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.79% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.33% | 100.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.21% | 88.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.85% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.27% | 94.73% |
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.
| Allium tuberosum |
| Hosta longipes |
| Hosta sieboldii |
| Neolitsea daibuensis |
| PubChem | 162867274 |
| LOTUS | LTS0275431 |
| wikiData | Q105141172 |