[(1R,12S,13R,14R,15R)-15-acetyloxy-14-hydroxy-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,18-pentaen-12-yl] (E)-3-phenylprop-2-enoate
| Internal ID | b52f8ff1-31f9-4284-a7d4-793fca1b8ad4 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [(1R,12S,13R,14R,15R)-15-acetyloxy-14-hydroxy-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,18-pentaen-12-yl] (E)-3-phenylprop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H32O11/c1-17-26(44-24(35)12-11-19-9-7-6-8-10-19)20-13-23-27(42-16-41-23)29-25(20)33(15-40-29)21(31(32(17,3)37)43-18(2)34)14-22(38-4)28(39-5)30(33)36/h6-14,17,26,31,37H,15-16H2,1-5H3/b12-11+/t17-,26+,31-,32-,33-/m1/s1 |
| InChI Key | RFLJFFCQFBVABL-LHYVGURXSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C33H32O11 |
| Molecular Weight | 604.60 g/mol |
| Exact Mass | 604.19446183 g/mol |
| Topological Polar Surface Area (TPSA) | 136.00 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of [(1R,12S,13R,14R,15R)-15-acetyloxy-14-hydroxy-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,18-pentaen-12-yl] (E)-3-phenylprop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/19eaf430-8821-11ee-9da3-39423e5a1d86.jpg "2D Structure of [(1R,12S,13R,14R,15R)-15-acetyloxy-14-hydroxy-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,18-pentaen-12-yl] (E)-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.49% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.58% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.78% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.36% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.72% | 96.77% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.00% | 93.99% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.03% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.45% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.08% | 94.45% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 91.19% | 94.80% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.79% | 96.00% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 90.45% | 89.44% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.75% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.02% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.58% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.47% | 99.23% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.97% | 95.50% |
| CHEMBL5028 | O14672 | ADAM10 | 84.59% | 97.50% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 84.20% | 94.08% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 83.89% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.77% | 95.89% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.80% | 90.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.50% | 91.19% |
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 | 163190627 |
| LOTUS | LTS0054150 |
| wikiData | Q105235465 |