[(9R,10R,11R)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl] 3-phenylprop-2-enoate
| Internal ID | 1e570764-7e72-471c-8f75-9ffbeea8a55e |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [(9R,10R,11R)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl] 3-phenylprop-2-enoate |
| SMILES (Canonical) | CC1CC2=CC(=C(C(=C2C3=C(C4=C(C=C3C(C1C)OC(=O)C=CC5=CC=CC=C5)OCO4)OC)OC)OC)OC |
| SMILES (Isomeric) | C[C@@H]1CC2=CC(=C(C(=C2C3=C(C4=C(C=C3[C@@H]([C@@H]1C)OC(=O)C=CC5=CC=CC=C5)OCO4)OC)OC)OC)OC |
| InChI | InChI=1S/C32H34O8/c1-18-14-21-15-23(34-3)29(35-4)31(36-5)26(21)27-22(16-24-30(32(27)37-6)39-17-38-24)28(19(18)2)40-25(33)13-12-20-10-8-7-9-11-20/h7-13,15-16,18-19,28H,14,17H2,1-6H3/t18-,19-,28-/m1/s1 |
| InChI Key | QWIXWIQRZHRKNQ-BIALHBOASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H34O8 |
| Molecular Weight | 546.60 g/mol |
| Exact Mass | 546.22536804 g/mol |
| Topological Polar Surface Area (TPSA) | 81.70 Ų |
| XlogP | 6.70 |
| There are no found synonyms. |
![2D Structure of [(9R,10R,11R)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl] 3-phenylprop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/1950da70-85fe-11ee-abae-a3dd8156d684.jpg "2D Structure of [(9R,10R,11R)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl] 3-phenylprop-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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.64% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.19% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.88% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.75% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.62% | 93.99% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.60% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.56% | 89.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.01% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.37% | 99.17% |
| CHEMBL5028 | O14672 | ADAM10 | 87.47% | 97.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.99% | 98.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.63% | 95.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.39% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.61% | 85.14% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.29% | 89.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.23% | 99.23% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.94% | 96.95% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.00% | 91.00% |
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.
| Kadsura heteroclita |
| PubChem | 162881757 |
| LOTUS | LTS0252069 |
| wikiData | Q105229205 |