(11-Acetyloxy-9-hydroxy-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-8-yl) benzoate
| Internal ID | febbf25f-c9d3-46b5-8632-689fe58332ac |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | (11-acetyloxy-9-hydroxy-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-8-yl) benzoate |
| SMILES (Canonical) | CC1C(C2=CC3=C(C(=C2C4=C(C(=C(C=C4C(C1(C)O)OC(=O)C5=CC=CC=C5)OC)OC)OC)OC)OCO3)OC(=O)C |
| SMILES (Isomeric) | CC1C(C2=CC3=C(C(=C2C4=C(C(=C(C=C4C(C1(C)O)OC(=O)C5=CC=CC=C5)OC)OC)OC)OC)OCO3)OC(=O)C |
| InChI | InChI=1S/C32H34O11/c1-16-25(42-17(2)33)19-13-22-27(41-15-40-22)29(39-7)23(19)24-20(14-21(36-4)26(37-5)28(24)38-6)30(32(16,3)35)43-31(34)18-11-9-8-10-12-18/h8-14,16,25,30,35H,15H2,1-7H3 |
| InChI Key | CNTQTBYFFAKKFL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H34O11 |
| Molecular Weight | 594.60 g/mol |
| Exact Mass | 594.21011190 g/mol |
| Topological Polar Surface Area (TPSA) | 128.00 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of (11-Acetyloxy-9-hydroxy-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-8-yl) benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/cdb2f9f0-871e-11ee-aacf-356c130e56e1.jpg "2D Structure of (11-Acetyloxy-9-hydroxy-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-8-yl) benzoate")
| 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 | 97.99% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.40% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.19% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.90% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.81% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.50% | 98.75% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.09% | 96.77% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.07% | 92.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.28% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.52% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.07% | 99.23% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.30% | 89.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.06% | 97.14% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 86.05% | 89.44% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.86% | 91.19% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.15% | 90.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.13% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.85% | 99.17% |
| CHEMBL5028 | O14672 | ADAM10 | 80.92% | 97.50% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.83% | 95.50% |
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 coccinea |
| Kadsura oblongifolia |
| Kadsura philippinensis |
| PubChem | 162849662 |
| LOTUS | LTS0210712 |
| wikiData | Q104966339 |