Haterumalide X
| Internal ID | 1be19742-fb33-4ab3-a86c-ca9361851f36 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | [(5S,6Z,9E,13S,15R)-10-chloro-6-methyl-15-[(2R)-4-methyl-6-oxo-2,5-dihydropyran-2-yl]-3-oxo-2,14-dioxabicyclo[11.2.1]hexadeca-6,9-dien-5-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H29ClO7/c1-13-9-19(30-21(26)10-13)23-20-11-17(29-23)8-7-16(24)6-4-5-14(2)18(28-15(3)25)12-22(27)31-20/h5-6,9,17-20,23H,4,7-8,10-12H2,1-3H3/b14-5-,16-6+/t17-,18-,19+,20?,23-/m0/s1 |
| InChI Key | PJEGJKFSPOTQNK-DMXFVVQCSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H29ClO7 |
| Molecular Weight | 452.90 g/mol |
| Exact Mass | 452.1601810 g/mol |
| Topological Polar Surface Area (TPSA) | 88.10 Ų |
| XlogP | 2.70 |
| CHEBI:207343 |
| [(5S,6Z,9E,13S,15R)-10-chloro-6-methyl-15-[(2R)-4-methyl-6-oxo-2,5-dihydropyran-2-yl]-3-oxo-2,14-dioxabicyclo[11.2.1]hexadeca-6,9-dien-5-yl] acetate |
| 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 | 96.71% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.69% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.14% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.51% | 94.73% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.75% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.39% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.76% | 96.09% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 85.89% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.21% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.63% | 90.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.12% | 92.50% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.11% | 85.14% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.17% | 89.34% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.87% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.79% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.18% | 89.00% |
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 | 139588097 |
| LOTUS | LTS0065625 |
| wikiData | Q105209908 |