methyl (1S,2S,8S,10R,13R,15S,17R)-6-(2-methoxy-2-oxoethyl)-5-(2-methoxypropan-2-yl)-2,7,10,15-tetramethyl-11,16-dioxo-12,14-dioxatetracyclo[8.6.1.02,8.013,17]heptadeca-4,6-diene-1-carboxylate
| Internal ID | 1dcdedbe-93b9-41e2-8f09-24897c6cf9e4 |
| Taxonomy | Organoheterocyclic compounds > Furopyrans |
| IUPAC Name | methyl (1S,2S,8S,10R,13R,15S,17R)-6-(2-methoxy-2-oxoethyl)-5-(2-methoxypropan-2-yl)-2,7,10,15-tetramethyl-11,16-dioxo-12,14-dioxatetracyclo[8.6.1.02,8.013,17]heptadeca-4,6-diene-1-carboxylate |
| SMILES (Canonical) | CC1C(=O)C2(C3C(O1)OC(=O)C3(CC4C2(CC=C(C(=C4C)CC(=O)OC)C(C)(C)OC)C)C)C(=O)OC |
| SMILES (Isomeric) | C[C@H]1C(=O)[C@@]2([C@@H]3[C@H](O1)OC(=O)[C@@]3(C[C@@H]4[C@@]2(CC=C(C(=C4C)CC(=O)OC)C(C)(C)OC)C)C)C(=O)OC |
| InChI | InChI=1S/C28H38O9/c1-14-16(12-19(29)33-7)17(25(3,4)35-9)10-11-27(6)18(14)13-26(5)20-22(37-23(26)31)36-15(2)21(30)28(20,27)24(32)34-8/h10,15,18,20,22H,11-13H2,1-9H3/t15-,18-,20+,22+,26+,27-,28-/m0/s1 |
| InChI Key | VJSDLDBIFLWQDV-FPOPTWPWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H38O9 |
| Molecular Weight | 518.60 g/mol |
| Exact Mass | 518.25158279 g/mol |
| Topological Polar Surface Area (TPSA) | 114.00 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of methyl (1S,2S,8S,10R,13R,15S,17R)-6-(2-methoxy-2-oxoethyl)-5-(2-methoxypropan-2-yl)-2,7,10,15-tetramethyl-11,16-dioxo-12,14-dioxatetracyclo[8.6.1.02,8.013,17]heptadeca-4,6-diene-1-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/1b249d60-87c9-11ee-a65a-dd7f4628ce93.jpg "2D Structure of methyl (1S,2S,8S,10R,13R,15S,17R)-6-(2-methoxy-2-oxoethyl)-5-(2-methoxypropan-2-yl)-2,7,10,15-tetramethyl-11,16-dioxo-12,14-dioxatetracyclo[8.6.1.02,8.013,17]heptadeca-4,6-diene-1-carboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.63% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.45% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.43% | 97.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.00% | 97.79% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 89.73% | 90.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.16% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.13% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.27% | 94.73% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.66% | 97.28% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.17% | 97.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.55% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.52% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.43% | 97.25% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.90% | 91.07% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.86% | 99.17% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.80% | 94.33% |
| CHEMBL5028 | O14672 | ADAM10 | 82.23% | 97.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.42% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.63% | 86.33% |
| CHEMBL1859 | O95180 | Voltage-gated T-type calcium channel alpha-1H subunit | 80.55% | 98.57% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.15% | 95.89% |
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.
| There are no matching plants. |
| PubChem | 146684282 |
| LOTUS | LTS0071617 |
| wikiData | Q105287485 |