(1R,2S,4S,5R,6R,10Z,13R,14R)-5,6-dihydroxy-11-methyl-7-methylidene-4-[(2R)-2-methyloxiran-2-yl]-15,17,18-trioxatetracyclo[11.2.2.12,6.01,14]octadec-10-ene-9,16-dione
| Internal ID | 0264b2ea-9f63-4cc1-a6b6-9ce1117a2dff |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (1R,2S,4S,5R,6R,10Z,13R,14R)-5,6-dihydroxy-11-methyl-7-methylidene-4-[(2R)-2-methyloxiran-2-yl]-15,17,18-trioxatetracyclo[11.2.2.12,6.01,14]octadec-10-ene-9,16-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H24O8/c1-9-4-11(21)6-10(2)20(24)15(22)12(18(3)8-25-18)7-14(27-20)19-16(28-19)13(5-9)26-17(19)23/h4,12-16,22,24H,2,5-8H2,1,3H3/b9-4-/t12-,13+,14-,15+,16+,18-,19+,20+/m0/s1 |
| InChI Key | HSSPWYAJKLQQPG-HOPZEPDPSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H24O8 |
| Molecular Weight | 392.40 g/mol |
| Exact Mass | 392.14711772 g/mol |
| Topological Polar Surface Area (TPSA) | 118.00 Ų |
| XlogP | -1.20 |
| There are no found synonyms. |
![2D Structure of (1R,2S,4S,5R,6R,10Z,13R,14R)-5,6-dihydroxy-11-methyl-7-methylidene-4-[(2R)-2-methyloxiran-2-yl]-15,17,18-trioxatetracyclo[11.2.2.12,6.01,14]octadec-10-ene-9,16-dione](https://plantaedb.com/storage/docs/compounds/2023/11/bf9aafe0-879d-11ee-9f38-617573c1b4a2.jpg "2D Structure of (1R,2S,4S,5R,6R,10Z,13R,14R)-5,6-dihydroxy-11-methyl-7-methylidene-4-[(2R)-2-methyloxiran-2-yl]-15,17,18-trioxatetracyclo[11.2.2.12,6.01,14]octadec-10-ene-9,16-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.60% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.42% | 91.11% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.75% | 96.61% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.38% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.93% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.21% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.42% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.17% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.78% | 97.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.57% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.39% | 97.25% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.24% | 96.95% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.18% | 96.43% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.61% | 97.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.42% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.51% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.28% | 90.00% |
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 | 163185197 |
| LOTUS | LTS0073718 |
| wikiData | Q105033236 |