[2-Hydroxy-4-[(7-methoxy-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]oxolan-3-yl]methyl acetate
Internal ID | 439dcda6-0922-4eb5-a9c7-c8d974e71eb7 |
Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
IUPAC Name | [2-hydroxy-4-[(7-methoxy-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]oxolan-3-yl]methyl acetate |
SMILES (Canonical) | CC(=O)OCC1C(COC1O)C(C2=CC3=C(C(=C2)OC)OCO3)C4=CC(=C(C(=C4)OC)OC)OC |
SMILES (Isomeric) | CC(=O)OCC1C(COC1O)C(C2=CC3=C(C(=C2)OC)OCO3)C4=CC(=C(C(=C4)OC)OC)OC |
InChI | InChI=1S/C25H30O10/c1-13(26)32-11-17-16(10-33-25(17)27)22(14-6-18(28-2)23(31-5)19(7-14)29-3)15-8-20(30-4)24-21(9-15)34-12-35-24/h6-9,16-17,22,25,27H,10-12H2,1-5H3 |
InChI Key | XQRMLHXAJPOICH-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C25H30O10 |
Molecular Weight | 490.50 g/mol |
Exact Mass | 490.18389715 g/mol |
Topological Polar Surface Area (TPSA) | 111.00 Ų |
XlogP | 2.80 |
There are no found synonyms. |
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 | 98.86% | 96.09% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.77% | 96.77% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.47% | 91.11% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 95.68% | 94.80% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 93.02% | 97.21% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.78% | 94.45% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.57% | 96.00% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.11% | 92.62% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 91.09% | 89.50% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.06% | 89.00% |
CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 89.16% | 98.75% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.50% | 85.14% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.42% | 99.17% |
CHEMBL2581 | P07339 | Cathepsin D | 88.37% | 98.95% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.62% | 95.89% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.93% | 91.19% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.92% | 89.62% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.00% | 90.71% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.28% | 86.33% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.63% | 97.09% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.54% | 97.25% |
CHEMBL2535 | P11166 | Glucose transporter | 81.50% | 98.75% |
CHEMBL4208 | P20618 | Proteasome component C5 | 81.21% | 90.00% |
CHEMBL5028 | O14672 | ADAM10 | 81.06% | 97.50% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.01% | 100.00% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.48% | 96.95% |
CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 80.16% | 80.96% |
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.
Peperomia heyneana |
PubChem | 163047558 |
LOTUS | LTS0104196 |
wikiData | Q105340002 |