[(8S,9R,10R)-3,9-dihydroxy-4,5,19-trimethoxy-10-methyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl]-phenylmethanone
| Internal ID | eeb4881b-8f4d-4fc9-9388-4d6939b2e089 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [(8S,9R,10R)-3,9-dihydroxy-4,5,19-trimethoxy-10-methyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl]-phenylmethanone |
| SMILES (Canonical) | CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C(C1O)C(=O)C5=CC=CC=C5)OC)OC)O)OC)OCO3 |
| SMILES (Isomeric) | C[C@@H]1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4[C@@H]([C@@H]1O)C(=O)C5=CC=CC=C5)OC)OC)O)OC)OCO3 |
| InChI | InChI=1S/C28H28O8/c1-14-10-16-11-19-27(36-13-35-19)28(34-4)20(16)21-17(12-18(32-2)26(33-3)25(21)31)22(23(14)29)24(30)15-8-6-5-7-9-15/h5-9,11-12,14,22-23,29,31H,10,13H2,1-4H3/t14-,22+,23-/m1/s1 |
| InChI Key | PITCVLPDXPYIER-JRVVOHRXSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C28H28O8 |
| Molecular Weight | 492.50 g/mol |
| Exact Mass | 492.17841785 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of [(8S,9R,10R)-3,9-dihydroxy-4,5,19-trimethoxy-10-methyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl]-phenylmethanone](https://plantaedb.com/storage/docs/compounds/2023/11/db9bc400-8725-11ee-893a-39123a1b5745.jpg "2D Structure of [(8S,9R,10R)-3,9-dihydroxy-4,5,19-trimethoxy-10-methyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl]-phenylmethanone")
| 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 | 99.52% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.22% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.51% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 94.28% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.48% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.09% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.22% | 85.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.46% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.46% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.37% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.18% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.69% | 95.89% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 83.18% | 94.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.14% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.54% | 90.00% |
| CHEMBL5028 | O14672 | ADAM10 | 82.35% | 97.50% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.83% | 91.00% |
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 arisanensis |
| PubChem | 46883471 |
| LOTUS | LTS0131002 |
| wikiData | Q105209704 |