[(8R,9R,10R,11R)-8-acetyloxy-11,14-dihydroxy-4,5,15,16-tetramethoxy-9,10-dimethyl-3-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] 2-methylbut-2-enoate
| Internal ID | bd61e363-f6a8-497d-adb7-ae8565d7f27c |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [(8R,9R,10R,11R)-8-acetyloxy-11,14-dihydroxy-4,5,15,16-tetramethoxy-9,10-dimethyl-3-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] 2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC1=C2C(=CC(=C1OC)OC)C(C(C(C(C3=CC(=C(C(=C32)OC)OC)O)O)C)C)OC(=O)C |
| SMILES (Isomeric) | CC=C(C)C(=O)OC1=C2C(=CC(=C1OC)OC)[C@@H]([C@@H]([C@H]([C@H](C3=CC(=C(C(=C32)OC)OC)O)O)C)C)OC(=O)C |
| InChI | InChI=1S/C29H36O10/c1-10-13(2)29(33)39-28-22-18(12-20(34-6)26(28)36-8)24(38-16(5)30)15(4)14(3)23(32)17-11-19(31)25(35-7)27(37-9)21(17)22/h10-12,14-15,23-24,31-32H,1-9H3/t14-,15-,23-,24-/m1/s1 |
| InChI Key | KGINALDKAICLNZ-UPMOLNEASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H36O10 |
| Molecular Weight | 544.60 g/mol |
| Exact Mass | 544.23084734 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of [(8R,9R,10R,11R)-8-acetyloxy-11,14-dihydroxy-4,5,15,16-tetramethoxy-9,10-dimethyl-3-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/f0b906a0-85b0-11ee-b028-df103e992ede.jpg "2D Structure of [(8R,9R,10R,11R)-8-acetyloxy-11,14-dihydroxy-4,5,15,16-tetramethoxy-9,10-dimethyl-3-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] 2-methylbut-2-enoate")
| 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 | 97.92% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.44% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.94% | 99.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 91.88% | 97.21% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.84% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.44% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.09% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.09% | 96.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.17% | 91.19% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 86.06% | 95.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.76% | 95.89% |
| CHEMBL4355 | O14976 | Serine/threonine-protein kinase GAK | 82.99% | 89.32% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.17% | 95.56% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.73% | 89.50% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 81.55% | 97.53% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.44% | 98.75% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.53% | 91.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.32% | 92.94% |
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 propinqua |
| PubChem | 162870274 |
| LOTUS | LTS0106125 |
| wikiData | Q105140795 |