(1R,8S,10S)-1,3,8-trimethyl-5,9,15-trioxatetracyclo[11.2.1.02,6.08,10]hexadeca-2(6),3,13(16)-trien-14-one
| Internal ID | 16542923-2a47-4f3c-8146-1a0238409761 |
| Taxonomy | Organoheterocyclic compounds > Dihydrofurans > Furanones > Butenolides |
| IUPAC Name | (1R,8S,10S)-1,3,8-trimethyl-5,9,15-trioxatetracyclo[11.2.1.02,6.08,10]hexadeca-2(6),3,13(16)-trien-14-one |
| SMILES (Canonical) | CC1=COC2=C1C3(C=C(CCC4C(C2)(O4)C)C(=O)O3)C |
| SMILES (Isomeric) | CC1=COC2=C1[C@]3(C=C(CC[C@H]4[C@](C2)(O4)C)C(=O)O3)C |
| InChI | InChI=1S/C16H18O4/c1-9-8-18-11-7-15(2)12(19-15)5-4-10-6-16(3,13(9)11)20-14(10)17/h6,8,12H,4-5,7H2,1-3H3/t12-,15-,16+/m0/s1 |
| InChI Key | FHNDNKXNYNJSEZ-VBNZEHGJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H18O4 |
| Molecular Weight | 274.31 g/mol |
| Exact Mass | 274.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 52.00 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of (1R,8S,10S)-1,3,8-trimethyl-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/aded2200-83dc-11ee-85ab-415d818ca5d6.jpg "2D Structure of (1R,8S,10S)-1,3,8-trimethyl-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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.39% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.95% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.47% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.88% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.83% | 91.11% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.92% | 97.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.49% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.02% | 86.33% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 82.45% | 96.25% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.27% | 93.03% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.80% | 93.04% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.40% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.34% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.27% | 94.00% |
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.
| Neolitsea daibuensis |
| PubChem | 162864040 |
| LOTUS | LTS0094899 |
| wikiData | Q104995356 |