Methyl 2,7,7,15,20-pentamethyl-9,16,21-trioxospiro[5,8,17,19-tetraoxahexacyclo[13.6.1.02,13.04,6.06,11.018,22]docos-10-ene-12,2'-oxirane]-1-carboxylate
| Internal ID | d911e471-3e35-4e3e-be56-2961999a227c |
| Taxonomy | Organoheterocyclic compounds > Furopyrans |
| IUPAC Name | methyl 2,7,7,15,20-pentamethyl-9,16,21-trioxospiro[5,8,17,19-tetraoxahexacyclo[13.6.1.02,13.04,6.06,11.018,22]docos-10-ene-12,2'-oxirane]-1-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H30O10/c1-11-17(28)25(20(30)31-6)16-18(33-11)34-19(29)22(16,4)8-13-23(25,5)9-14-26(35-14)12(24(13)10-32-24)7-15(27)36-21(26,2)3/h7,11,13-14,16,18H,8-10H2,1-6H3 |
| InChI Key | KXRODMCMGHNDAX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H30O10 |
| Molecular Weight | 502.50 g/mol |
| Exact Mass | 502.18389715 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | 0.60 |
| There are no found synonyms. |
![2D Structure of Methyl 2,7,7,15,20-pentamethyl-9,16,21-trioxospiro[5,8,17,19-tetraoxahexacyclo[13.6.1.02,13.04,6.06,11.018,22]docos-10-ene-12,2'-oxirane]-1-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/6b346ef0-85ab-11ee-a36b-ebec75cf8ce9.jpg "2D Structure of Methyl 2,7,7,15,20-pentamethyl-9,16,21-trioxospiro[5,8,17,19-tetraoxahexacyclo[13.6.1.02,13.04,6.06,11.018,22]docos-10-ene-12,2'-oxirane]-1-carboxylate")
| 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 | 98.77% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.48% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.78% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.43% | 99.23% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 90.35% | 85.30% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.05% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.09% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.74% | 91.19% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.98% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.93% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.75% | 94.73% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.75% | 97.79% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.56% | 97.14% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.59% | 91.07% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.56% | 89.34% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.43% | 94.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.87% | 97.28% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.06% | 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.
| There are no matching plants. |
| PubChem | 162815776 |
| LOTUS | LTS0079740 |
| wikiData | Q104170684 |