(8-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-11-yl) acetate
| Internal ID | 343e4328-765c-4e82-86fc-e3cda6bef7bb |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | (8-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-11-yl) acetate |
| SMILES (Canonical) | CC1C(C2=CC3=C(C(=C2C4=C(C(=C(C=C4C(C1(C)O)OC(=O)C)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)C)OC)OC)OC)OC)OCO3)OC(=O)C |
| InChI | InChI=1S/C27H32O11/c1-12-21(37-13(2)28)15-9-18-23(36-11-35-18)25(34-8)19(15)20-16(26(27(12,4)30)38-14(3)29)10-17(31-5)22(32-6)24(20)33-7/h9-10,12,21,26,30H,11H2,1-8H3 |
| InChI Key | JTGLGTVZVIMKBZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H32O11 |
| Molecular Weight | 532.50 g/mol |
| Exact Mass | 532.19446183 g/mol |
| Topological Polar Surface Area (TPSA) | 128.00 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of (8-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-11-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/15b25410-86ac-11ee-a927-efe08eed0fc8.jpg "2D Structure of (8-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-11-yl) acetate")
| 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 | 98.91% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.34% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.52% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.84% | 96.77% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.87% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.44% | 86.33% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 91.10% | 89.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.39% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.77% | 89.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.24% | 94.80% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.23% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.06% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.05% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.96% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.57% | 90.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.18% | 97.14% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 81.24% | 80.96% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 81.20% | 82.67% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.89% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.86% | 92.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.77% | 98.95% |
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 |
| PubChem | 73235333 |
| LOTUS | LTS0159861 |
| wikiData | Q105134771 |