methyl (2S,4S,10S,12R,14S,15S)-2-acetyloxy-12-methyl-17-oxo-4-(3-oxoprop-1-en-2-yl)-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-diene-7-carboxylate
| Internal ID | e0a8635e-223f-4ec9-b201-6223121ea5c6 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | methyl (2S,4S,10S,12R,14S,15S)-2-acetyloxy-12-methyl-17-oxo-4-(3-oxoprop-1-en-2-yl)-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-diene-7-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H24O10/c1-10(9-24)12-5-14-13(20(26)28-4)7-15(30-14)18-22(3,32-18)8-16-19-23(33-19,21(27)31-16)17(6-12)29-11(2)25/h7,9,12,16-19H,1,5-6,8H2,2-4H3/t12-,16+,17+,18-,19+,22-,23?/m1/s1 |
| InChI Key | AMXQRHQMVKOSQE-LIZLVZPWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H24O10 |
| Molecular Weight | 460.40 g/mol |
| Exact Mass | 460.13694696 g/mol |
| Topological Polar Surface Area (TPSA) | 134.00 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of methyl (2S,4S,10S,12R,14S,15S)-2-acetyloxy-12-methyl-17-oxo-4-(3-oxoprop-1-en-2-yl)-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-diene-7-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/fd443800-85e8-11ee-87d8-39e2189016cd.jpg "2D Structure of methyl (2S,4S,10S,12R,14S,15S)-2-acetyloxy-12-methyl-17-oxo-4-(3-oxoprop-1-en-2-yl)-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-diene-7-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.51% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.90% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.12% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 93.46% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.93% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.06% | 85.14% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 89.81% | 91.24% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.87% | 97.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.69% | 95.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.48% | 91.07% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.03% | 89.50% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.69% | 96.90% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.15% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.93% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.41% | 99.17% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 82.57% | 95.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.51% | 97.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.59% | 96.00% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 81.47% | 92.51% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.55% | 93.03% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.41% | 92.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.09% | 95.50% |
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 | 101607292 |
| LOTUS | LTS0136243 |
| wikiData | Q104401336 |