Arisanschinin J
| Internal ID | b3b848e7-a196-4a79-ab21-b28372e07364 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | (Z)-1-[(8S,9R,10R)-9,14-dihydroxy-3,4,5,15,16-pentamethoxy-10-methyl-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl]-2-methylbut-2-en-1-one |
| SMILES (Canonical) | CC=C(C)C(=O)C1C(C(CC2=CC(=C(C(=C2C3=C(C(=C(C=C13)OC)OC)OC)OC)OC)O)C)O |
| SMILES (Isomeric) | C/C=C(/C)\C(=O)[C@@H]1[C@@H]([C@@H](CC2=CC(=C(C(=C2C3=C(C(=C(C=C13)OC)OC)OC)OC)OC)O)C)O |
| InChI | InChI=1S/C27H34O8/c1-9-13(2)22(29)21-16-12-18(31-4)25(33-6)27(35-8)20(16)19-15(10-14(3)23(21)30)11-17(28)24(32-5)26(19)34-7/h9,11-12,14,21,23,28,30H,10H2,1-8H3/b13-9-/t14-,21-,23-/m1/s1 |
| InChI Key | IZDJEKHZZLMRAH-CYTORJSWSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C27H34O8 |
| Molecular Weight | 486.60 g/mol |
| Exact Mass | 486.22536804 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 4.70 |
| CHEMBL1079710 |
| 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 | 99.38% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.20% | 96.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 95.95% | 95.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.08% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.27% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.38% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.38% | 99.17% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.03% | 92.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.97% | 94.45% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.73% | 95.89% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.59% | 97.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.34% | 86.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.13% | 91.07% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.85% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.46% | 98.95% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 85.26% | 91.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.80% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.72% | 91.19% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.83% | 85.14% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.54% | 89.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.41% | 100.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.18% | 91.03% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 80.10% | 91.79% |
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 | 46883433 |
| LOTUS | LTS0099211 |
| wikiData | Q105123126 |