(4S,6S,7S)-6,7,16,18-tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,12-dione
| Internal ID | 3531b4e1-9f27-4b37-a7b6-e200a28c3495 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (4S,6S,7S)-6,7,16,18-tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,12-dione |
| SMILES (Canonical) | CC1CC(C(CCCCC(=O)CC2=C(C(=CC(=C2)O)O)C(=O)O1)O)O |
| SMILES (Isomeric) | C[C@H]1C[C@@H]([C@H](CCCCC(=O)CC2=C(C(=CC(=C2)O)O)C(=O)O1)O)O |
| InChI | InChI=1S/C18H24O7/c1-10-6-15(22)14(21)5-3-2-4-12(19)7-11-8-13(20)9-16(23)17(11)18(24)25-10/h8-10,14-15,20-23H,2-7H2,1H3/t10-,14-,15-/m0/s1 |
| InChI Key | VLQGDJXRIOZLEX-LKTVYLICSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H24O7 |
| Molecular Weight | 352.40 g/mol |
| Exact Mass | 352.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of (4S,6S,7S)-6,7,16,18-tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,12-dione](https://plantaedb.com/storage/docs/compounds/2023/11/3ae16380-86c8-11ee-bfdf-032071456830.jpg "2D Structure of (4S,6S,7S)-6,7,16,18-tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,12-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.91% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.93% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.70% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.88% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.89% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.42% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.37% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.26% | 98.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.19% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.46% | 95.89% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 85.06% | 97.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.16% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.87% | 92.94% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 83.53% | 95.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.04% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.90% | 99.23% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.57% | 95.50% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 81.46% | 96.12% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.26% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.99% | 94.73% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.43% | 91.19% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.35% | 95.93% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.02% | 93.56% |
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 | 162902541 |
| LOTUS | LTS0121416 |
| wikiData | Q105288587 |