(8-Acetyloxy-10-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6,11-trien-6-yl)methyl acetate
Internal ID | 25007473-6d39-471f-8081-26e35b4c55c8 |
Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tricarboxylic acids and derivatives |
IUPAC Name | (8-acetyloxy-10-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6,11-trien-6-yl)methyl acetate |
SMILES (Canonical) | CC(=O)OCC1=C2C(CC(C3=CCC(O3)(C=C2OC1=O)C)(C)O)OC(=O)C |
SMILES (Isomeric) | CC(=O)OCC1=C2C(CC(C3=CCC(O3)(C=C2OC1=O)C)(C)O)OC(=O)C |
InChI | InChI=1S/C19H22O8/c1-10(20)24-9-12-16-13(26-17(12)22)7-18(3)6-5-15(27-18)19(4,23)8-14(16)25-11(2)21/h5,7,14,23H,6,8-9H2,1-4H3 |
InChI Key | HHZSMTRQDSZCQU-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C19H22O8 |
Molecular Weight | 378.40 g/mol |
Exact Mass | 378.13146766 g/mol |
Topological Polar Surface Area (TPSA) | 108.00 Ų |
XlogP | -0.20 |
There are no found synonyms. |
![2D Structure of (8-Acetyloxy-10-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6,11-trien-6-yl)methyl acetate 2D Structure of (8-Acetyloxy-10-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6,11-trien-6-yl)methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/96a76ce0-8675-11ee-9dc6-c59f5f3970d2.jpg)
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 | 98.22% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.31% | 96.09% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.67% | 97.25% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.63% | 85.14% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.35% | 94.45% |
CHEMBL2581 | P07339 | Cathepsin D | 92.14% | 98.95% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.65% | 82.69% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.10% | 86.33% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.26% | 99.23% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.19% | 97.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.36% | 89.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.18% | 99.17% |
CHEMBL4208 | P20618 | Proteasome component C5 | 80.95% | 90.00% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.73% | 94.00% |
CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.38% | 94.62% |
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.
Lessingianthus venosissimus |
PubChem | 162878541 |
LOTUS | LTS0220729 |
wikiData | Q105028713 |