3,4-Bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]oxolan-2-one
Internal ID | 448bbae8-b7e6-43eb-ab93-1b8feb5bce2a |
Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans > Tetrahydrofuran lignans > 9,9-epoxylignans > Dibenzylbutyrolactone lignans |
IUPAC Name | 3,4-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]oxolan-2-one |
SMILES (Canonical) | COC1=CC(=CC2=C1OCO2)CC3COC(=O)C3CC4=CC5=C(C(=C4)OC)OCO5 |
SMILES (Isomeric) | COC1=CC(=CC2=C1OCO2)CC3COC(=O)C3CC4=CC5=C(C(=C4)OC)OCO5 |
InChI | InChI=1S/C22H22O8/c1-24-16-5-12(7-18-20(16)29-10-27-18)3-14-9-26-22(23)15(14)4-13-6-17(25-2)21-19(8-13)28-11-30-21/h5-8,14-15H,3-4,9-11H2,1-2H3 |
InChI Key | SPICWNPCROOQRU-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C22H22O8 |
Molecular Weight | 414.40 g/mol |
Exact Mass | 414.13146766 g/mol |
Topological Polar Surface Area (TPSA) | 81.70 Ų |
XlogP | 3.60 |
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 |
---|---|---|---|---|
CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.42% | 83.82% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.30% | 96.77% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.87% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.70% | 91.11% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 95.08% | 92.62% |
CHEMBL2581 | P07339 | Cathepsin D | 94.86% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.77% | 94.45% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.80% | 85.14% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.04% | 86.33% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.46% | 95.56% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.00% | 97.25% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.74% | 97.14% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.98% | 95.89% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.91% | 94.80% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.21% | 95.89% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.18% | 94.00% |
CHEMBL3401 | O75469 | Pregnane X receptor | 82.54% | 94.73% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.98% | 97.09% |
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 | 85417873 |
LOTUS | LTS0111915 |
wikiData | Q105257421 |