(3E,5E,7E,10S,12S,14E,16E,18E,20R,22R)-10,12-dihydroxy-22-[(2S)-2-hydroxypropyl]-20-methoxy-1-oxacyclodocosa-3,5,7,14,16,18-hexaen-2-one
| Internal ID | 14d8fa5c-08a4-4643-adcd-8c4860ebc1be |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (3E,5E,7E,10S,12S,14E,16E,18E,20R,22R)-10,12-dihydroxy-22-[(2S)-2-hydroxypropyl]-20-methoxy-1-oxacyclodocosa-3,5,7,14,16,18-hexaen-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H36O6/c1-20(26)17-24-19-23(30-2)15-11-7-3-5-9-13-21(27)18-22(28)14-10-6-4-8-12-16-25(29)31-24/h3-12,15-16,20-24,26-28H,13-14,17-19H2,1-2H3/b7-3+,8-4+,9-5+,10-6+,15-11+,16-12+/t20-,21-,22-,23-,24+/m0/s1 |
| InChI Key | SZPWNRYGTQYOLD-DSVPWWSBSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H36O6 |
| Molecular Weight | 432.50 g/mol |
| Exact Mass | 432.25118886 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of (3E,5E,7E,10S,12S,14E,16E,18E,20R,22R)-10,12-dihydroxy-22-[(2S)-2-hydroxypropyl]-20-methoxy-1-oxacyclodocosa-3,5,7,14,16,18-hexaen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/00f996f0-8343-11ee-a21e-0924050d8738.jpg "2D Structure of (3E,5E,7E,10S,12S,14E,16E,18E,20R,22R)-10,12-dihydroxy-22-[(2S)-2-hydroxypropyl]-20-methoxy-1-oxacyclodocosa-3,5,7,14,16,18-hexaen-2-one")
| 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 | 93.96% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.87% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.36% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.25% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.04% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.70% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.48% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.16% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.60% | 91.07% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.41% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.51% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.99% | 96.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.38% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.03% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.50% | 92.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.48% | 94.73% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.07% | 96.77% |
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 | 162878131 |
| LOTUS | LTS0197121 |
| wikiData | Q105264316 |