[3,9,16-Trihydroxy-4,5,14,15-tetramethoxy-9,10-dimethyl-11-(2-methylbut-2-enoyloxy)-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] benzoate
| Internal ID | 2ede39c9-488d-43d6-9f94-d4159cc2cf79 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [3,9,16-trihydroxy-4,5,14,15-tetramethoxy-9,10-dimethyl-11-(2-methylbut-2-enoyloxy)-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] benzoate |
| 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)C4=CC=CC=C4)(C)O)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)C4=CC=CC=C4)(C)O)C |
| InChI | InChI=1S/C34H38O11/c1-9-17(2)32(37)44-28-18(3)34(4,39)31(45-33(38)19-13-11-10-12-14-19)21-16-23(41-6)30(43-8)27(36)25(21)24-20(28)15-22(40-5)29(42-7)26(24)35/h9-16,18,28,31,35-36,39H,1-8H3 |
| InChI Key | FGACFCPIJZFIEZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H38O11 |
| Molecular Weight | 622.70 g/mol |
| Exact Mass | 622.24141202 g/mol |
| Topological Polar Surface Area (TPSA) | 150.00 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of [3,9,16-Trihydroxy-4,5,14,15-tetramethoxy-9,10-dimethyl-11-(2-methylbut-2-enoyloxy)-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/acf3ffc0-867c-11ee-b280-0b082e804551.jpg "2D Structure of [3,9,16-Trihydroxy-4,5,14,15-tetramethoxy-9,10-dimethyl-11-(2-methylbut-2-enoyloxy)-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] 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 | 98.82% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.15% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.29% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.33% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.10% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.01% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.52% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.17% | 99.17% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 88.63% | 97.53% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.00% | 91.07% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.88% | 91.19% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.83% | 95.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.70% | 99.23% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 81.98% | 89.44% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.21% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.89% | 90.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.77% | 90.20% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.14% | 94.62% |
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 | 162963764 |
| LOTUS | LTS0209385 |
| wikiData | Q104994767 |