(3,4,5,19-Tetramethoxy-9,10-dimethyl-11-propanoyloxy-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-enoate
| Internal ID | 01b33c4a-db13-440a-8730-ab056e1519a9 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | (3,4,5,19-tetramethoxy-9,10-dimethyl-11-propanoyloxy-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-enoate |
| SMILES (Canonical) | CCC(=O)OC1C(C(C(C2=CC(=C(C(=C2C3=C(C4=C(C=C13)OCO4)OC)OC)OC)OC)OC(=O)C(=CC)C)C)C |
| SMILES (Isomeric) | CCC(=O)OC1C(C(C(C2=CC(=C(C(=C2C3=C(C4=C(C=C13)OCO4)OC)OC)OC)OC)OC(=O)C(=CC)C)C)C |
| InChI | InChI=1S/C31H38O10/c1-10-15(3)31(33)41-26-17(5)16(4)25(40-22(32)11-2)19-13-21-28(39-14-38-21)30(37-9)24(19)23-18(26)12-20(34-6)27(35-7)29(23)36-8/h10,12-13,16-17,25-26H,11,14H2,1-9H3 |
| InChI Key | BTKZCBGTFRTOHM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H38O10 |
| Molecular Weight | 570.60 g/mol |
| Exact Mass | 570.24649740 g/mol |
| Topological Polar Surface Area (TPSA) | 108.00 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of (3,4,5,19-Tetramethoxy-9,10-dimethyl-11-propanoyloxy-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-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/00449cb0-85db-11ee-87f6-e1e104df390a.jpg "2D Structure of (3,4,5,19-Tetramethoxy-9,10-dimethyl-11-propanoyloxy-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-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.65% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.49% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.88% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.78% | 89.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.37% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.30% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.77% | 94.45% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 90.75% | 89.50% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.44% | 97.25% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.89% | 96.61% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.53% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.71% | 96.95% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.88% | 94.80% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.77% | 97.21% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.92% | 96.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.25% | 89.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.67% | 98.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.62% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.52% | 95.56% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 80.51% | 80.96% |
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 | 74941719 |
| LOTUS | LTS0240472 |
| wikiData | Q104945693 |