(11-Hexanoyloxy-9,14-dihydroxy-3,4,5,15,16-pentamethoxy-9,10-dimethyl-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl) benzoate
| Internal ID | 1185c67f-1e82-441c-b8fe-4babdfdfcc0f |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | (11-hexanoyloxy-9,14-dihydroxy-3,4,5,15,16-pentamethoxy-9,10-dimethyl-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl) benzoate |
| SMILES (Canonical) | CCCCCC(=O)OC1C(C(C(C2=CC(=C(C(=C2C3=C(C(=C(C=C13)O)OC)OC)OC)OC)OC)OC(=O)C4=CC=CC=C4)(C)O)C |
| SMILES (Isomeric) | CCCCCC(=O)OC1C(C(C(C2=CC(=C(C(=C2C3=C(C(=C(C=C13)O)OC)OC)OC)OC)OC)OC(=O)C4=CC=CC=C4)(C)O)C |
| InChI | InChI=1S/C36H44O11/c1-9-10-12-17-26(38)46-29-20(2)36(3,40)34(47-35(39)21-15-13-11-14-16-21)23-19-25(41-4)31(43-6)33(45-8)28(23)27-22(29)18-24(37)30(42-5)32(27)44-7/h11,13-16,18-20,29,34,37,40H,9-10,12,17H2,1-8H3 |
| InChI Key | JZTYYGDEAJYRCR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H44O11 |
| Molecular Weight | 652.70 g/mol |
| Exact Mass | 652.28836222 g/mol |
| Topological Polar Surface Area (TPSA) | 139.00 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of (11-Hexanoyloxy-9,14-dihydroxy-3,4,5,15,16-pentamethoxy-9,10-dimethyl-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl) benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/069bbfc0-85a6-11ee-b0f9-c568eded52fb.jpg "2D Structure of (11-Hexanoyloxy-9,14-dihydroxy-3,4,5,15,16-pentamethoxy-9,10-dimethyl-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 | 98.35% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.96% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.75% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.49% | 99.17% |
| CHEMBL240 | Q12809 | HERG | 97.27% | 89.76% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.14% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.67% | 98.75% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 90.35% | 95.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.53% | 92.08% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.37% | 99.23% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 86.04% | 97.53% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.01% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.54% | 96.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.83% | 96.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.68% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.85% | 100.00% |
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.
| Schisandra propinqua |
| PubChem | 13844275 |
| LOTUS | LTS0125207 |
| wikiData | Q105137582 |