Swietmanin A
| Internal ID | d14beba8-ba17-47e2-ab76-b49873a30fed |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | [(1S,2S,3R,5R,6R,10S,13S,14R,16S)-3-acetyloxy-6-(furan-3-yl)-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-11-en-14-yl] 2-methylpropanoate |
| SMILES (Canonical) | CC(C)C(=O)OC1C2C=C3C4CC(=O)OC(C4(CC(C3C(C2=O)(C(C1(C)C)CC(=O)OC)C)OC(=O)C)C)C5=COC=C5 |
| SMILES (Isomeric) | CC(C)C(=O)O[C@@H]1[C@@H]2C=C3[C@@H]4CC(=O)O[C@H]([C@@]4(C[C@H]([C@@H]3[C@@](C2=O)([C@H](C1(C)C)CC(=O)OC)C)OC(=O)C)C)C5=COC=C5 |
| InChI | InChI=1S/C33H42O10/c1-16(2)30(38)43-29-20-11-19-21-12-25(36)42-28(18-9-10-40-15-18)32(21,6)14-22(41-17(3)34)26(19)33(7,27(20)37)23(31(29,4)5)13-24(35)39-8/h9-11,15-16,20-23,26,28-29H,12-14H2,1-8H3/t20-,21+,22-,23+,26-,28+,29-,32-,33+/m1/s1 |
| InChI Key | ROCPSWBBLOSTQC-ZINDYMPQSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C33H42O10 |
| Molecular Weight | 598.70 g/mol |
| Exact Mass | 598.27779753 g/mol |
| Topological Polar Surface Area (TPSA) | 135.00 Ų |
| XlogP | 3.60 |
| CHEMBL1075765 |
| 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 | 99.23% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.07% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.80% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.70% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 96.07% | 97.79% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.30% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.17% | 98.95% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 89.54% | 92.88% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.02% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.52% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.89% | 95.89% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 86.87% | 98.03% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.71% | 92.62% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 86.35% | 95.71% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.96% | 94.33% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 84.86% | 91.24% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 84.73% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.85% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.58% | 89.00% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 82.69% | 91.38% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.02% | 99.23% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 82.01% | 85.30% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.59% | 94.80% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.51% | 99.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.90% | 95.50% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 80.64% | 80.96% |
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.
| Swietenia mahagoni |
| PubChem | 44613294 |
| LOTUS | LTS0241656 |
| wikiData | Q105242090 |