6,6,19-trimethyl-18-(4-methyl-5-oxo-2H-furan-2-yl)-7,11,17-trioxahexacyclo[14.6.1.02,14.05,12.08,12.020,23]tricosa-1,14,16(23)-trien-10-one
| Internal ID | 6cc7354e-2196-426b-bc1f-f835ec996414 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans |
| IUPAC Name | 6,6,19-trimethyl-18-(4-methyl-5-oxo-2H-furan-2-yl)-7,11,17-trioxahexacyclo[14.6.1.02,14.05,12.08,12.020,23]tricosa-1,14,16(23)-trien-10-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H32O6/c1-13-9-20(32-26(13)30)25-14(2)16-5-6-18-17-7-8-21-27(3,4)33-22-11-23(29)34-28(21,22)12-15(17)10-19(31-25)24(16)18/h9-10,14,16,20-22,25H,5-8,11-12H2,1-4H3 |
| InChI Key | QFKYMFWLPPOWOB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H32O6 |
| Molecular Weight | 464.50 g/mol |
| Exact Mass | 464.21988874 g/mol |
| Topological Polar Surface Area (TPSA) | 71.10 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of 6,6,19-trimethyl-18-(4-methyl-5-oxo-2H-furan-2-yl)-7,11,17-trioxahexacyclo[14.6.1.02,14.05,12.08,12.020,23]tricosa-1,14,16(23)-trien-10-one](https://plantaedb.com/storage/docs/compounds/2023/11/5186c680-8581-11ee-806f-87b2be8889f2.jpg "2D Structure of 6,6,19-trimethyl-18-(4-methyl-5-oxo-2H-furan-2-yl)-7,11,17-trioxahexacyclo[14.6.1.02,14.05,12.08,12.020,23]tricosa-1,14,16(23)-trien-10-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 | 98.66% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.94% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.41% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.81% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.69% | 97.09% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 89.59% | 93.04% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.42% | 86.33% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 88.70% | 97.05% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.65% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.36% | 97.14% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 86.25% | 95.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.08% | 100.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.83% | 94.80% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 84.41% | 97.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.40% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.33% | 95.89% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 83.11% | 86.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.00% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.81% | 97.25% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.69% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.65% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.65% | 85.14% |
| CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 81.64% | 93.89% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.95% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.66% | 94.00% |
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.
| Schisandra rubriflora |
| PubChem | 73070186 |
| LOTUS | LTS0211018 |
| wikiData | Q105219631 |