Kadsutherin
| Internal ID | b8ac1191-a33a-4166-a1bb-1fdf51942c34 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [(9R,10S)-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-19-yl] (Z)-2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC1=C2C(=CC3=C1OCO3)CC(C(CC4=CC(=C(C(=C42)OC)OC)OC)C)C |
| SMILES (Isomeric) | C/C=C(/C)\C(=O)OC1=C2C(=CC3=C1OCO3)C[C@@H]([C@@H](CC4=CC(=C(C(=C42)OC)OC)OC)C)C |
| InChI | InChI=1S/C27H32O7/c1-8-14(2)27(28)34-26-22-18(12-20-24(26)33-13-32-20)10-16(4)15(3)9-17-11-19(29-5)23(30-6)25(31-7)21(17)22/h8,11-12,15-16H,9-10,13H2,1-7H3/b14-8-/t15-,16+/m1/s1 |
| InChI Key | GEOIXWVVEFBXEI-NBWJXOEWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H32O7 |
| Molecular Weight | 468.50 g/mol |
| Exact Mass | 468.21480336 g/mol |
| Topological Polar Surface Area (TPSA) | 72.40 Ų |
| XlogP | 6.10 |
| 99481-39-7 |
| 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 | 98.25% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.47% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.02% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.76% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.71% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.17% | 99.17% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.49% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.15% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.99% | 92.62% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 88.98% | 89.50% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.10% | 94.80% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 84.83% | 96.76% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.52% | 91.19% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.43% | 95.89% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 84.10% | 95.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.01% | 100.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.27% | 98.75% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 82.32% | 96.86% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 82.30% | 82.67% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.11% | 98.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.00% | 96.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.95% | 94.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.71% | 97.21% |
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 | 145709744 |
| LOTUS | LTS0214360 |
| wikiData | Q105007259 |