(1S,3S,5R,14S,15S,18R)-14-hydroxy-5-(hydroxymethyl)-18-(methoxymethyl)-9,13-dimethyl-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-dien-17-one
| Internal ID | f9296d79-f422-4d6c-ad6e-f092128a1125 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (1S,3S,5R,14S,15S,18R)-14-hydroxy-5-(hydroxymethyl)-18-(methoxymethyl)-9,13-dimethyl-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-dien-17-one |
| SMILES (Canonical) | CC1=CCCC2(C(O2)CC3C(C(=O)OC3C(C(=CCC1)C)O)COC)CO |
| SMILES (Isomeric) | CC1=CCC[C@]2([C@@H](O2)C[C@H]3[C@@H](C(=O)O[C@@H]3[C@H](C(=CCC1)C)O)COC)CO |
| InChI | InChI=1S/C21H32O6/c1-13-6-4-8-14(2)18(23)19-15(16(11-25-3)20(24)26-19)10-17-21(12-22,27-17)9-5-7-13/h7-8,15-19,22-23H,4-6,9-12H2,1-3H3/t15-,16-,17-,18-,19-,21+/m0/s1 |
| InChI Key | FPMLLSXHOPRAIM-PUFBLQPOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H32O6 |
| Molecular Weight | 380.50 g/mol |
| Exact Mass | 380.21988874 g/mol |
| Topological Polar Surface Area (TPSA) | 88.50 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of (1S,3S,5R,14S,15S,18R)-14-hydroxy-5-(hydroxymethyl)-18-(methoxymethyl)-9,13-dimethyl-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-dien-17-one](https://plantaedb.com/storage/docs/compounds/2023/11/882e6b40-85ba-11ee-a1db-035c4c097108.jpg "2D Structure of (1S,3S,5R,14S,15S,18R)-14-hydroxy-5-(hydroxymethyl)-18-(methoxymethyl)-9,13-dimethyl-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-dien-17-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 | 96.45% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.90% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.35% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.08% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.72% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.16% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.53% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.08% | 86.33% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.80% | 96.61% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.29% | 96.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.89% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.49% | 89.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.21% | 96.43% |
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 | 162868441 |
| LOTUS | LTS0238085 |
| wikiData | Q104999258 |