(1S,2S,3S,6R,7S,8S,9S,10R)-7-[2-(furan-3-yl)-2-oxoethyl]-1-hydroxy-2,7-dimethyl-4,11,14-trioxapentacyclo[7.3.2.13,6.02,8.010,12]pentadecane-5,13-dione
| Internal ID | aaebd3ee-0819-4634-9f9e-b9c729b1b651 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Aryl ketones > Aryl alkyl ketones |
| IUPAC Name | (1S,2S,3S,6R,7S,8S,9S,10R)-7-[2-(furan-3-yl)-2-oxoethyl]-1-hydroxy-2,7-dimethyl-4,11,14-trioxapentacyclo[7.3.2.13,6.02,8.010,12]pentadecane-5,13-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H20O8/c1-18(6-10(21)8-3-4-25-7-8)9-5-11(26-16(9)22)19(2)14(18)12-13-15(27-13)20(19,24)17(23)28-12/h3-4,7,9,11-15,24H,5-6H2,1-2H3/t9-,11-,12+,13+,14-,15?,18+,19+,20-/m0/s1 |
| InChI Key | KHMPUQOQGWYVMN-UYXJJACWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H20O8 |
| Molecular Weight | 388.40 g/mol |
| Exact Mass | 388.11581759 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
![2D Structure of (1S,2S,3S,6R,7S,8S,9S,10R)-7-[2-(furan-3-yl)-2-oxoethyl]-1-hydroxy-2,7-dimethyl-4,11,14-trioxapentacyclo[7.3.2.13,6.02,8.010,12]pentadecane-5,13-dione](https://plantaedb.com/storage/docs/compounds/2023/11/e2a2ab30-8314-11ee-8478-6986ac0b8639.jpg "2D Structure of (1S,2S,3S,6R,7S,8S,9S,10R)-7-[2-(furan-3-yl)-2-oxoethyl]-1-hydroxy-2,7-dimethyl-4,11,14-trioxapentacyclo[7.3.2.13,6.02,8.010,12]pentadecane-5,13-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 | 94.24% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.15% | 83.82% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.51% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.27% | 96.09% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 90.63% | 92.51% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.20% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.94% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.31% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.75% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.68% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.46% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.10% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.92% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.36% | 85.14% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.36% | 93.99% |
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.
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| There are no matching plants. |
| PubChem | 163193151 |
| LOTUS | LTS0220360 |
| wikiData | Q105141232 |