(3,9-Dihydroxy-4,5,19-trimethoxy-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 | 910d6f0f-27c9-4b5f-a35c-7e90a910524f |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | (3,9-dihydroxy-4,5,19-trimethoxy-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)O)OC)OC)OC(=O)C(=CC)C)(C)O)C |
| SMILES (Isomeric) | CCC(=O)OC1C(C(C(C2=CC(=C(C(=C2C3=C(C4=C(C=C13)OCO4)OC)O)OC)OC)OC(=O)C(=CC)C)(C)O)C |
| InChI | InChI=1S/C30H36O11/c1-9-14(3)29(33)41-28-17-12-18(35-6)25(36-7)23(32)21(17)22-16(11-19-26(27(22)37-8)39-13-38-19)24(40-20(31)10-2)15(4)30(28,5)34/h9,11-12,15,24,28,32,34H,10,13H2,1-8H3 |
| InChI Key | GDDPBKLHYPVUIC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H36O11 |
| Molecular Weight | 572.60 g/mol |
| Exact Mass | 572.22576196 g/mol |
| Topological Polar Surface Area (TPSA) | 139.00 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of (3,9-Dihydroxy-4,5,19-trimethoxy-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/af51c6f0-8607-11ee-a12e-5d19ccda2d0c.jpg "2D Structure of (3,9-Dihydroxy-4,5,19-trimethoxy-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.77% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.63% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.63% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.36% | 89.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.97% | 96.77% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.60% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.17% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.14% | 86.33% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 88.08% | 89.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.64% | 96.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.83% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.45% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.64% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.59% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.28% | 91.19% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.25% | 90.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.12% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.51% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.05% | 94.00% |
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 philippinensis |
| PubChem | 163043707 |
| LOTUS | LTS0148097 |
| wikiData | Q105006676 |