6,11,11,14,18,19-Hexamethyl-25-methylidene-3,10,12,28-tetraoxaoctacyclo[20.5.2.01,19.02,4.05,18.06,15.09,14.022,27]nonacosan-29-one
| Internal ID | 8f98babf-a7ce-4944-88ef-948c36f6291c |
| Taxonomy | Organoheterocyclic compounds > Lactones > Gamma butyrolactones |
| IUPAC Name | 6,11,11,14,18,19-hexamethyl-25-methylidene-3,10,12,28-tetraoxaoctacyclo[20.5.2.01,19.02,4.05,18.06,15.09,14.022,27]nonacosan-29-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H46O5/c1-18-8-13-31-15-14-30(7)29(6)12-9-19-27(4,11-10-21-28(19,5)17-34-26(2,3)36-21)23(29)22-24(35-22)32(30,20(31)16-18)37-25(31)33/h19-24H,1,8-17H2,2-7H3 |
| InChI Key | XUOFYJKRVBHVBO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H46O5 |
| Molecular Weight | 510.70 g/mol |
| Exact Mass | 510.33452456 g/mol |
| Topological Polar Surface Area (TPSA) | 57.30 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of 6,11,11,14,18,19-Hexamethyl-25-methylidene-3,10,12,28-tetraoxaoctacyclo[20.5.2.01,19.02,4.05,18.06,15.09,14.022,27]nonacosan-29-one](https://plantaedb.com/storage/docs/compounds/2023/11/64bac190-85e3-11ee-beb2-3fe7b6538688.jpg "2D Structure of 6,11,11,14,18,19-Hexamethyl-25-methylidene-3,10,12,28-tetraoxaoctacyclo[20.5.2.01,19.02,4.05,18.06,15.09,14.022,27]nonacosan-29-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.47% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.95% | 91.11% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 93.50% | 85.30% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.25% | 98.95% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 91.45% | 95.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 89.53% | 93.04% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.90% | 82.69% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 87.65% | 80.96% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.08% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.88% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.61% | 97.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.18% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.05% | 95.89% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.77% | 95.50% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.34% | 96.43% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.46% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.17% | 97.09% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.08% | 95.38% |
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.
| There are no matching plants. |
| PubChem | 163042875 |
| LOTUS | LTS0136022 |
| wikiData | Q105342451 |