Schisantherin O
| Internal ID | 1c325eb9-9268-4893-b159-78e464e33cc6 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [(9R,10R,11R)-3-hydroxy-4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl] acetate |
| SMILES (Canonical) | CC1CC2=CC(=C(C(=C2C3=C(C4=C(C=C3C(C1C)OC(=O)C)OCO4)OC)O)OC)OC |
| SMILES (Isomeric) | C[C@@H]1CC2=CC(=C(C(=C2C3=C(C4=C(C=C3[C@@H]([C@@H]1C)OC(=O)C)OCO4)OC)O)OC)OC |
| InChI | InChI=1S/C24H28O8/c1-11-7-14-8-16(27-4)22(28-5)20(26)18(14)19-15(21(12(11)2)32-13(3)25)9-17-23(24(19)29-6)31-10-30-17/h8-9,11-12,21,26H,7,10H2,1-6H3/t11-,12-,21-/m1/s1 |
| InChI Key | FQRABLUDNBDAFZ-JWCBKOKGSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H28O8 |
| Molecular Weight | 444.50 g/mol |
| Exact Mass | 444.17841785 g/mol |
| Topological Polar Surface Area (TPSA) | 92.70 Ų |
| XlogP | 4.30 |
| 77174-33-5 |
| Schisantherin O |
| AcetylbinankadsurinA |
| Acetylbinankadsurin A |
| Acetyl binankadsurin A |
| HY-N11940 |
| (hydroxy-trimethoxy-dimethyl-[?]yl) acetate |
| CS-0890070 |
| 150132-87-9 |
| 8-Acetyloxy-5,6,7,8-tetrahydro-2,3,13-trimethoxy-6,7-dimethylbenzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-1-ol |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 98.93% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.07% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.98% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.16% | 85.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.80% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.49% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.57% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.72% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.12% | 99.17% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 89.07% | 89.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.74% | 92.62% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.59% | 94.80% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 86.50% | 82.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.84% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.44% | 91.19% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 83.40% | 95.62% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.93% | 96.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.44% | 94.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.61% | 97.21% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 80.69% | 96.86% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 80.63% | 96.76% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.12% | 92.94% |
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 coccinea |
| PubChem | 10478619 |
| LOTUS | LTS0138583 |
| wikiData | Q104999805 |