4,13-Dihydroxy-17-(hydroxymethyl)-3,5,12,14-tetramethoxytetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-8-one
| Internal ID | 8d8bc9a4-8caf-4baf-a705-c56017d1805d |
| Taxonomy | Lignans, neolignans and related compounds > Aryltetralin lignans |
| IUPAC Name | 4,13-dihydroxy-17-(hydroxymethyl)-3,5,12,14-tetramethoxytetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-8-one |
| SMILES (Canonical) | COC1=C(C(=C2CC3C(C(C2=C1)C4=C(C(=C(C=C4C3=O)OC)O)OC)CO)OC)O |
| SMILES (Isomeric) | COC1=C(C(=C2CC3C(C(C2=C1)C4=C(C(=C(C=C4C3=O)OC)O)OC)CO)OC)O |
| InChI | InChI=1S/C22H24O8/c1-27-14-6-9-11(21(29-3)19(14)25)5-10-13(8-23)16(9)17-12(18(10)24)7-15(28-2)20(26)22(17)30-4/h6-7,10,13,16,23,25-26H,5,8H2,1-4H3 |
| InChI Key | DWQAZCRWFAOKDV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H24O8 |
| Molecular Weight | 416.40 g/mol |
| Exact Mass | 416.14711772 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of 4,13-Dihydroxy-17-(hydroxymethyl)-3,5,12,14-tetramethoxytetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/632f2680-8600-11ee-aa8c-7f4eabbc8c23.jpg "2D Structure of 4,13-Dihydroxy-17-(hydroxymethyl)-3,5,12,14-tetramethoxytetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-8-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 | 98.71% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.67% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.92% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.16% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.04% | 89.34% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.29% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.08% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.71% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.33% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.00% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.97% | 92.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.39% | 98.75% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 82.50% | 92.38% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.69% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.51% | 95.89% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.11% | 89.62% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.40% | 93.31% |
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.
| Liriodendron tulipifera |
| PubChem | 90474712 |
| LOTUS | LTS0229946 |
| wikiData | Q104990692 |