(9R,10R)-16-hydroxy-3,4,5,14,15-pentamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-8-one
| Internal ID | 86dc2c04-98fa-4430-b0b9-a9be40d27649 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | (9R,10R)-16-hydroxy-3,4,5,14,15-pentamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-8-one |
| SMILES (Canonical) | CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)C1C)OC)OC)OC)O)OC)OC |
| SMILES (Isomeric) | C[C@@H]1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)[C@@H]1C)OC)OC)OC)O)OC)OC |
| InChI | InChI=1S/C23H28O7/c1-11-8-13-9-15(26-3)21(28-5)20(25)17(13)18-14(19(24)12(11)2)10-16(27-4)22(29-6)23(18)30-7/h9-12,25H,8H2,1-7H3/t11-,12-/m1/s1 |
| InChI Key | GWGFXKOBEDDHFA-VXGBXAGGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H28O7 |
| Molecular Weight | 416.50 g/mol |
| Exact Mass | 416.18350323 g/mol |
| Topological Polar Surface Area (TPSA) | 83.40 Ų |
| XlogP | 4.20 |
| HY-N11936 |
| CS-0890034 |
![2D Structure of (9R,10R)-16-hydroxy-3,4,5,14,15-pentamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/35fedd50-85e0-11ee-88fe-832e865829c0.jpg "2D Structure of (9R,10R)-16-hydroxy-3,4,5,14,15-pentamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-8-one")
| 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 | 96.92% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.52% | 96.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 94.25% | 95.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.71% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.87% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.26% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.25% | 92.94% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 87.88% | 96.86% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.54% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.00% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.16% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.90% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.39% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.19% | 85.14% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 83.78% | 91.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.76% | 90.71% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.12% | 95.89% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.45% | 96.21% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 80.36% | 96.76% |
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 rubriflora |
| PubChem | 102212970 |
| LOTUS | LTS0096112 |
| wikiData | Q105022318 |