(1R,9R,11S,15R)-9-methyl-14-methylidene-2,6,12-trioxatetracyclo[7.6.1.04,16.011,15]hexadeca-4,7-diene-3,13-dione
| Internal ID | 0dd92bd1-8451-4fbd-84f0-e9b29998e14a |
| Taxonomy | Organoheterocyclic compounds > Lactones > Gamma butyrolactones |
| IUPAC Name | (1R,9R,11S,15R)-9-methyl-14-methylidene-2,6,12-trioxatetracyclo[7.6.1.04,16.011,15]hexadeca-4,7-diene-3,13-dione |
| SMILES (Canonical) | CC12CC3C(C4C1C(=COC=C2)C(=O)O4)C(=C)C(=O)O3 |
| SMILES (Isomeric) | C[C@]12C[C@H]3[C@H]([C@H]4C1C(=COC=C2)C(=O)O4)C(=C)C(=O)O3 |
| InChI | InChI=1S/C15H14O5/c1-7-10-9(19-13(7)16)5-15(2)3-4-18-6-8-11(15)12(10)20-14(8)17/h3-4,6,9-12H,1,5H2,2H3/t9-,10+,11?,12-,15-/m0/s1 |
| InChI Key | RDKCUUKYUOOMPS-OUOUQFBMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H14O5 |
| Molecular Weight | 274.27 g/mol |
| Exact Mass | 274.08412354 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of (1R,9R,11S,15R)-9-methyl-14-methylidene-2,6,12-trioxatetracyclo[7.6.1.04,16.011,15]hexadeca-4,7-diene-3,13-dione](https://plantaedb.com/storage/docs/compounds/2023/11/bf9ee650-8477-11ee-9496-d7deb5ae8c4e.jpg "2D Structure of (1R,9R,11S,15R)-9-methyl-14-methylidene-2,6,12-trioxatetracyclo[7.6.1.04,16.011,15]hexadeca-4,7-diene-3,13-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.94% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.94% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.80% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.62% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.36% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.00% | 89.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 85.37% | 95.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.34% | 94.73% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.05% | 97.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.31% | 99.23% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 81.42% | 96.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 80.30% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.13% | 97.09% |
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.
| Mikania scandens |
| PubChem | 163194515 |
| LOTUS | LTS0218110 |
| wikiData | Q105234272 |