[(1R,2R,3S,5S,6S,7R,8S,12S,16R)-12-[(S)-furan-3-yl(hydroxy)methyl]-7-hydroxy-16-(2-methoxy-2-oxoethyl)-2,5,12-trimethyl-3-(2-methylpropanoyloxy)-10-oxo-9-oxapentacyclo[6.6.1.12,5.03,7.011,15]hexadec-11(15)-en-6-yl] (2S)-2-methylbutanoate
| Internal ID | 82ca0938-2ed1-4fcb-ad9c-e4a89dbb7f37 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Eicosanoids > Prostaglandins and related compounds |
| IUPAC Name | [(1R,2R,3S,5S,6S,7R,8S,12S,16R)-12-[(S)-furan-3-yl(hydroxy)methyl]-7-hydroxy-16-(2-methoxy-2-oxoethyl)-2,5,12-trimethyl-3-(2-methylpropanoyloxy)-10-oxo-9-oxapentacyclo[6.6.1.12,5.03,7.011,15]hexadec-11(15)-en-6-yl] (2S)-2-methylbutanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H46O11/c1-9-18(4)28(39)45-30-32(6)16-34(46-27(38)17(2)3)33(7,21(32)14-22(36)42-8)20-10-12-31(5,25(37)19-11-13-43-15-19)24-23(20)26(35(30,34)41)44-29(24)40/h11,13,15,17-18,20-21,25-26,30,37,41H,9-10,12,14,16H2,1-8H3/t18-,20+,21+,25+,26-,30-,31-,32-,33-,34-,35-/m0/s1 |
| InChI Key | GWCZJAXJHWNFSH-UXJZHQGOSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C35H46O11 |
| Molecular Weight | 642.70 g/mol |
| Exact Mass | 642.30401228 g/mol |
| Topological Polar Surface Area (TPSA) | 159.00 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of [(1R,2R,3S,5S,6S,7R,8S,12S,16R)-12-[(S)-furan-3-yl(hydroxy)methyl]-7-hydroxy-16-(2-methoxy-2-oxoethyl)-2,5,12-trimethyl-3-(2-methylpropanoyloxy)-10-oxo-9-oxapentacyclo[6.6.1.12,5.03,7.011,15]hexadec-11(15)-en-6-yl] (2S)-2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/75fa2730-8541-11ee-aeb3-7d03a14953e4.jpg "2D Structure of [(1R,2R,3S,5S,6S,7R,8S,12S,16R)-12-[(S)-furan-3-yl(hydroxy)methyl]-7-hydroxy-16-(2-methoxy-2-oxoethyl)-2,5,12-trimethyl-3-(2-methylpropanoyloxy)-10-oxo-9-oxapentacyclo[6.6.1.12,5.03,7.011,15]hexadec-11(15)-en-6-yl] (2S)-2-methylbutanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.70% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.43% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.37% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.99% | 90.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.93% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.80% | 91.11% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 95.00% | 92.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.54% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.76% | 97.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 91.29% | 94.80% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.11% | 95.56% |
| CHEMBL5028 | O14672 | ADAM10 | 87.65% | 97.50% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 87.46% | 95.71% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.28% | 96.47% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 86.94% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.42% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.79% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.78% | 82.69% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.18% | 90.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.62% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.52% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.24% | 97.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.35% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.43% | 89.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.83% | 92.88% |
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.
| Xylocarpus moluccensis |
| PubChem | 163062680 |
| LOTUS | LTS0191003 |
| wikiData | Q105022221 |