[(1R,2S,5R,6R,10S,13R,14S,16S)-13-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] (E)-2-methylbut-2-enoate
| Internal ID | cb8a1236-a9dd-4c0e-95fe-a160a5174e16 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | [(1R,2S,5R,6R,10S,13R,14S,16S)-13-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] (E)-2-methylbut-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H42O10/c1-9-18(2)28(38)43-30-31(4,5)24(15-25(36)40-8)33(7)22-10-12-32(6)23(14-26(37)42-27(32)20-11-13-41-17-20)21(22)16-34(30,29(33)39)44-19(3)35/h9,11,13,16-17,22-24,27,30H,10,12,14-15H2,1-8H3/b18-9+/t22-,23-,24-,27-,30-,32+,33+,34-/m0/s1 |
| InChI Key | UMAZUSDJQFBJAR-MEFXMGPBSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C34H42O10 |
| Molecular Weight | 610.70 g/mol |
| Exact Mass | 610.27779753 g/mol |
| Topological Polar Surface Area (TPSA) | 135.00 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of [(1R,2S,5R,6R,10S,13R,14S,16S)-13-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] (E)-2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/32aaaab0-85a4-11ee-9375-196dfbc2ee0e.jpg "2D Structure of [(1R,2S,5R,6R,10S,13R,14S,16S)-13-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] (E)-2-methylbut-2-enoate")
| 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 | 98.72% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.87% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.41% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.41% | 90.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.07% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.85% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.70% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.28% | 95.89% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.18% | 94.80% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.96% | 82.69% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 87.78% | 91.24% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.63% | 97.09% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 86.13% | 91.38% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.42% | 94.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.25% | 100.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.19% | 92.88% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.73% | 95.71% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.04% | 93.00% |
| CHEMBL5028 | O14672 | ADAM10 | 83.84% | 97.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.64% | 98.95% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 83.24% | 92.97% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 82.78% | 89.67% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.75% | 100.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 82.57% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.21% | 99.23% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.76% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.54% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.22% | 95.56% |
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 humilis |
| PubChem | 10461386 |
| LOTUS | LTS0204835 |
| wikiData | Q105275459 |