Kadsumarin A
| Internal ID | c03665ca-cfc1-43c1-b582-b734e81d9c75 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [(9S,10R,11S)-19-hydroxy-3,4,5-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)O)OC)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)O)OC)OC)OC |
| InChI | InChI=1S/C24H28O8/c1-11-7-14-8-16(27-4)23(28-5)24(29-6)18(14)19-15(21(12(11)2)32-13(3)25)9-17-22(20(19)26)31-10-30-17/h8-9,11-12,21,26H,7,10H2,1-6H3/t11-,12+,21-/m0/s1 |
| InChI Key | SDLRHFQILAEGGK-DCVWQXJKSA-N |
| Popularity | 2 references 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 |
| [(9S,10R,11S)-19-Hydroxy-3,4,5-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 |
| 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 | 99.09% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.16% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.87% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.84% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.74% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.67% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.32% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.98% | 99.17% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 89.79% | 82.67% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 89.75% | 89.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.67% | 92.62% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 88.89% | 95.62% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 88.87% | 96.76% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.40% | 94.80% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.84% | 96.77% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.61% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.19% | 95.56% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 85.63% | 96.86% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.44% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.97% | 98.95% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 83.48% | 91.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.91% | 91.19% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.99% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.97% | 95.89% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.89% | 96.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.32% | 99.23% |
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 philippinensis |
| Schisandra arisanensis |
| PubChem | 10003571 |
| LOTUS | LTS0046017 |
| wikiData | Q105250728 |