(E)-1-[(8S,9R,10R)-3,9-dihydroxy-4,5,19-trimethoxy-10-methyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl]-2-methylbut-2-en-1-one
| Internal ID | 40ea3932-7eed-4603-b14f-effd723bbc66 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | (E)-1-[(8S,9R,10R)-3,9-dihydroxy-4,5,19-trimethoxy-10-methyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl]-2-methylbut-2-en-1-one |
| SMILES (Canonical) | CC=C(C)C(=O)C1C(C(CC2=CC3=C(C(=C2C4=C(C(=C(C=C14)OC)OC)O)OC)OCO3)C)O |
| SMILES (Isomeric) | C/C=C(\C)/C(=O)[C@@H]1[C@@H]([C@@H](CC2=CC3=C(C(=C2C4=C(C(=C(C=C14)OC)OC)O)OC)OCO3)C)O |
| InChI | InChI=1S/C26H30O8/c1-7-12(2)21(27)20-15-10-16(30-4)24(31-5)23(29)19(15)18-14(8-13(3)22(20)28)9-17-25(26(18)32-6)34-11-33-17/h7,9-10,13,20,22,28-29H,8,11H2,1-6H3/b12-7+/t13-,20-,22-/m1/s1 |
| InChI Key | AEBDJASMVJXWIR-JJXKJSPDSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C26H30O8 |
| Molecular Weight | 470.50 g/mol |
| Exact Mass | 470.19406791 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of (E)-1-[(8S,9R,10R)-3,9-dihydroxy-4,5,19-trimethoxy-10-methyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl]-2-methylbut-2-en-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/1ded4150-85a3-11ee-9b55-8df5f2f9c696.jpg "2D Structure of (E)-1-[(8S,9R,10R)-3,9-dihydroxy-4,5,19-trimethoxy-10-methyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl]-2-methylbut-2-en-1-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 | 99.74% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.57% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.43% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.40% | 89.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.18% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.85% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.53% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.43% | 92.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.19% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.73% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.58% | 98.75% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 87.28% | 82.67% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.11% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.99% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.66% | 89.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.92% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.43% | 91.19% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 84.95% | 95.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.88% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.49% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.95% | 85.14% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.94% | 97.21% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.60% | 91.07% |
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 arisanensis |
| PubChem | 46883434 |
| LOTUS | LTS0046219 |
| wikiData | Q105246800 |