(21-Hydroxy-6,6,11,14,19-pentamethyl-8,15,20-trioxo-7,16,18-trioxapentacyclo[12.6.1.02,12.05,10.017,21]henicosa-4,10-dien-3-yl) methyl carbonate
| Internal ID | f510ff1c-cc51-4730-b4c9-db482a4a09fa |
| Taxonomy | Organoheterocyclic compounds > Furopyrans |
| IUPAC Name | (21-hydroxy-6,6,11,14,19-pentamethyl-8,15,20-trioxo-7,16,18-trioxapentacyclo[12.6.1.02,12.05,10.017,21]henicosa-4,10-dien-3-yl) methyl carbonate |
| SMILES (Canonical) | CC1C(=O)C2C3C(CC4(C2(C(O1)OC4=O)O)C)C(=C5CC(=O)OC(C5=CC3OC(=O)OC)(C)C)C |
| SMILES (Isomeric) | CC1C(=O)C2C3C(CC4(C2(C(O1)OC4=O)O)C)C(=C5CC(=O)OC(C5=CC3OC(=O)OC)(C)C)C |
| InChI | InChI=1S/C25H30O10/c1-10-12-7-16(26)35-23(3,4)14(12)8-15(33-22(29)31-6)17-13(10)9-24(5)20(28)34-21-25(24,30)18(17)19(27)11(2)32-21/h8,11,13,15,17-18,21,30H,7,9H2,1-6H3 |
| InChI Key | PDRMUDPRIABQRI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H30O10 |
| Molecular Weight | 490.50 g/mol |
| Exact Mass | 490.18389715 g/mol |
| Topological Polar Surface Area (TPSA) | 135.00 Ų |
| XlogP | 0.40 |
| There are no found synonyms. |
![2D Structure of (21-Hydroxy-6,6,11,14,19-pentamethyl-8,15,20-trioxo-7,16,18-trioxapentacyclo[12.6.1.02,12.05,10.017,21]henicosa-4,10-dien-3-yl) methyl carbonate](https://plantaedb.com/storage/docs/compounds/2023/11/49ef71e0-86c5-11ee-ab7a-9395625afcb9.jpg "2D Structure of (21-Hydroxy-6,6,11,14,19-pentamethyl-8,15,20-trioxo-7,16,18-trioxapentacyclo[12.6.1.02,12.05,10.017,21]henicosa-4,10-dien-3-yl) methyl carbonate")
| 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 | 97.31% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.29% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.90% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.73% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.24% | 90.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.10% | 97.79% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.56% | 97.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.54% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.34% | 94.45% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.08% | 95.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.07% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.92% | 99.23% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.81% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.49% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.14% | 94.73% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.32% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.59% | 89.00% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.26% | 89.05% |
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 | 162900528 |
| LOTUS | LTS0081476 |
| wikiData | Q105206704 |