11,13,24-trihydroxy-7,21,21-trimethyl-8-(4-methyl-5-oxo-2H-furan-2-yl)-3,9,16,20-tetraoxaheptacyclo[11.11.0.02,4.02,10.06,10.015,19.015,22]tetracosan-17-one
| Internal ID | 8b4668de-7bc5-4b49-ab59-c722d660dea1 |
| Taxonomy | Organoheterocyclic compounds > Furopyrans |
| IUPAC Name | 11,13,24-trihydroxy-7,21,21-trimethyl-8-(4-methyl-5-oxo-2H-furan-2-yl)-3,9,16,20-tetraoxaheptacyclo[11.11.0.02,4.02,10.06,10.015,19.015,22]tetracosan-17-one |
| SMILES (Canonical) | CC1C2CC3C4(C2(C(CC5(C4C(CC6C(OC7C6(C5)OC(=O)C7)(C)C)O)O)O)OC1C8C=C(C(=O)O8)C)O3 |
| SMILES (Isomeric) | CC1C2CC3C4(C2(C(CC5(C4C(CC6C(OC7C6(C5)OC(=O)C7)(C)C)O)O)O)OC1C8C=C(C(=O)O8)C)O3 |
| InChI | InChI=1S/C28H36O10/c1-11-5-15(34-23(11)32)21-12(2)13-6-19-28(36-19)22-14(29)7-16-24(3,4)35-18-8-20(31)37-26(16,18)10-25(22,33)9-17(30)27(13,28)38-21/h5,12-19,21-22,29-30,33H,6-10H2,1-4H3 |
| InChI Key | QVDSQJYLZJYHMK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H36O10 |
| Molecular Weight | 532.60 g/mol |
| Exact Mass | 532.23084734 g/mol |
| Topological Polar Surface Area (TPSA) | 144.00 Ų |
| XlogP | -0.10 |
| There are no found synonyms. |
![2D Structure of 11,13,24-trihydroxy-7,21,21-trimethyl-8-(4-methyl-5-oxo-2H-furan-2-yl)-3,9,16,20-tetraoxaheptacyclo[11.11.0.02,4.02,10.06,10.015,19.015,22]tetracosan-17-one](https://plantaedb.com/storage/docs/compounds/2023/11/d7e77060-8446-11ee-a4d4-09b5f8a893fe.jpg "2D Structure of 11,13,24-trihydroxy-7,21,21-trimethyl-8-(4-methyl-5-oxo-2H-furan-2-yl)-3,9,16,20-tetraoxaheptacyclo[11.11.0.02,4.02,10.06,10.015,19.015,22]tetracosan-17-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.41% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.34% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.39% | 89.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.95% | 96.61% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.92% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.61% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.43% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.43% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.88% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.34% | 97.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.27% | 83.82% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.09% | 94.75% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 85.89% | 97.05% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.61% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.16% | 100.00% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 83.71% | 97.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.47% | 97.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.84% | 94.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.53% | 97.79% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.39% | 90.93% |
| CHEMBL4072 | P07858 | Cathepsin B | 80.11% | 93.67% |
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.
| Kadsura coccinea |
| PubChem | 74376673 |
| LOTUS | LTS0169448 |
| wikiData | Q105228604 |