[(9S)-4,5,14,15,16-pentamethoxy-9-methyl-10-methylidene-3-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] (Z)-2-methylbut-2-enoate
| Internal ID | 8575ceb7-751f-4fc7-83e1-4b2b978a11c6 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [(9S)-4,5,14,15,16-pentamethoxy-9-methyl-10-methylidene-3-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] (Z)-2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC1=C2C(=CC(=C1OC)OC)CC(C(=C)CC3=CC(=C(C(=C32)OC)OC)OC)C |
| SMILES (Isomeric) | C/C=C(/C)\C(=O)OC1=C2C(=CC(=C1OC)OC)C[C@@H](C(=C)CC3=CC(=C(C(=C32)OC)OC)OC)C |
| InChI | InChI=1S/C28H34O7/c1-10-15(2)28(29)35-27-23-19(14-21(31-6)25(27)33-8)12-17(4)16(3)11-18-13-20(30-5)24(32-7)26(34-9)22(18)23/h10,13-14,17H,3,11-12H2,1-2,4-9H3/b15-10-/t17-/m0/s1 |
| InChI Key | JQPNGBSDBCXUDB-MJSCBBHESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H34O7 |
| Molecular Weight | 482.60 g/mol |
| Exact Mass | 482.23045342 g/mol |
| Topological Polar Surface Area (TPSA) | 72.40 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of [(9S)-4,5,14,15,16-pentamethoxy-9-methyl-10-methylidene-3-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] (Z)-2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/6d76baa0-83a3-11ee-8f35-73a395373bf6.jpg "2D Structure of [(9S)-4,5,14,15,16-pentamethoxy-9-methyl-10-methylidene-3-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] (Z)-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.82% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.70% | 91.11% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 95.53% | 95.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.62% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.53% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.01% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.54% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.61% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.42% | 89.00% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 85.02% | 97.53% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.66% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.44% | 98.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.14% | 95.89% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.77% | 89.50% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 82.54% | 91.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.45% | 97.21% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.02% | 95.89% |
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 neglecta |
| PubChem | 163191058 |
| LOTUS | LTS0192501 |
| wikiData | Q105133580 |