4,15-Dihydroxy-18-(hydroxymethyl)-3,5,14,16-tetramethoxy-8-oxatetracyclo[8.7.1.02,7.012,17]octadeca-2,4,6,12,14,16-hexaen-11-one
| Internal ID | 67138fd9-a36f-40a0-8b61-b3df78a06144 |
| Taxonomy | Lignans, neolignans and related compounds > Aryltetralin lignans |
| IUPAC Name | 4,15-dihydroxy-18-(hydroxymethyl)-3,5,14,16-tetramethoxy-8-oxatetracyclo[8.7.1.02,7.012,17]octadeca-2,4,6,12,14,16-hexaen-11-one |
| SMILES (Canonical) | COC1=C(C(=C2C3C(C(COC4=CC(=C(C(=C34)OC)O)OC)C(=O)C2=C1)CO)OC)O |
| SMILES (Isomeric) | COC1=C(C(=C2C3C(C(COC4=CC(=C(C(=C34)OC)O)OC)C(=O)C2=C1)CO)OC)O |
| InChI | InChI=1S/C22H24O9/c1-27-13-5-9-16(21(29-3)19(13)25)15-10(7-23)11(18(9)24)8-31-12-6-14(28-2)20(26)22(30-4)17(12)15/h5-6,10-11,15,23,25-26H,7-8H2,1-4H3 |
| InChI Key | AADIYABRBAOWKA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H24O9 |
| Molecular Weight | 432.40 g/mol |
| Exact Mass | 432.14203234 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of 4,15-Dihydroxy-18-(hydroxymethyl)-3,5,14,16-tetramethoxy-8-oxatetracyclo[8.7.1.02,7.012,17]octadeca-2,4,6,12,14,16-hexaen-11-one](https://plantaedb.com/storage/docs/compounds/2023/11/02a16d20-8649-11ee-8747-13867f5a5772.jpg "2D Structure of 4,15-Dihydroxy-18-(hydroxymethyl)-3,5,14,16-tetramethoxy-8-oxatetracyclo[8.7.1.02,7.012,17]octadeca-2,4,6,12,14,16-hexaen-11-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 | 98.59% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.93% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.21% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.22% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.98% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.30% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.15% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.02% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.15% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.71% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.60% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.91% | 95.89% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.66% | 83.82% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.36% | 96.77% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.42% | 92.94% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 80.02% | 97.50% |
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.
| Lyonia ovalifolia |
| PubChem | 75163495 |
| LOTUS | LTS0239479 |
| wikiData | Q104907839 |