[3,16-Dihydroxy-4,5,14,15-tetramethoxy-9,10-dimethyl-11-(3-phenylprop-2-enoyloxy)-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] 2-methylbut-2-enoate
| Internal ID | 51a60859-d42b-4df5-8a88-3c568e312a06 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [3,16-dihydroxy-4,5,14,15-tetramethoxy-9,10-dimethyl-11-(3-phenylprop-2-enoyloxy)-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] 2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC1C(C(C(C2=CC(=C(C(=C2C3=C(C(=C(C=C13)OC)OC)O)O)OC)OC)OC(=O)C=CC4=CC=CC=C4)C)C |
| SMILES (Isomeric) | CC=C(C)C(=O)OC1C(C(C(C2=CC(=C(C(=C2C3=C(C(=C(C=C13)OC)OC)O)O)OC)OC)OC(=O)C=CC4=CC=CC=C4)C)C |
| InChI | InChI=1S/C36H40O10/c1-9-19(2)36(40)46-33-21(4)20(3)32(45-27(37)16-15-22-13-11-10-12-14-22)23-17-25(41-5)34(43-7)30(38)28(23)29-24(33)18-26(42-6)35(44-8)31(29)39/h9-18,20-21,32-33,38-39H,1-8H3 |
| InChI Key | YHNQRNUUWCKDGR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H40O10 |
| Molecular Weight | 632.70 g/mol |
| Exact Mass | 632.26214747 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | 6.80 |
| There are no found synonyms. |
![2D Structure of [3,16-Dihydroxy-4,5,14,15-tetramethoxy-9,10-dimethyl-11-(3-phenylprop-2-enoyloxy)-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/340d45a0-876a-11ee-a477-1f1301ea3799.jpg "2D Structure of [3,16-Dihydroxy-4,5,14,15-tetramethoxy-9,10-dimethyl-11-(3-phenylprop-2-enoyloxy)-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] 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 | 98.96% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.91% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.33% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.27% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.14% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.74% | 89.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.55% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.83% | 99.17% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.29% | 93.99% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.92% | 98.75% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 82.89% | 89.44% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.29% | 98.95% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.66% | 94.08% |
| CHEMBL3788 | O00444 | Serine/threonine-protein kinase PLK4 | 81.34% | 83.65% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.80% | 93.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.76% | 97.50% |
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 renchangiana |
| PubChem | 162894162 |
| LOTUS | LTS0222193 |
| wikiData | Q105348522 |