[(2S,3R,4R)-2-(7-methoxy-1,3-benzodioxol-5-yl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]oxolan-3-yl]methanol
Internal ID | d452ddc8-710c-41ac-a75a-619663e2ce94 |
Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans > Tetrahydrofuran lignans > 7,9-epoxylignans |
IUPAC Name | [(2S,3R,4R)-2-(7-methoxy-1,3-benzodioxol-5-yl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]oxolan-3-yl]methanol |
SMILES (Canonical) | COC1=CC(=CC2=C1OCO2)CC3COC(C3CO)C4=CC5=C(C(=C4)OC)OCO5 |
SMILES (Isomeric) | COC1=CC(=CC2=C1OCO2)C[C@H]3CO[C@@H]([C@H]3CO)C4=CC5=C(C(=C4)OC)OCO5 |
InChI | InChI=1S/C22H24O8/c1-24-16-4-12(5-18-21(16)29-10-27-18)3-14-9-26-20(15(14)8-23)13-6-17(25-2)22-19(7-13)28-11-30-22/h4-7,14-15,20,23H,3,8-11H2,1-2H3/t14-,15-,20+/m0/s1 |
InChI Key | NEKCZSOZRUNPLY-AUSJPIAWSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C22H24O8 |
Molecular Weight | 416.40 g/mol |
Exact Mass | 416.14711772 g/mol |
Topological Polar Surface Area (TPSA) | 84.80 Ų |
XlogP | 2.70 |
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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.50% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.01% | 96.09% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 95.28% | 92.62% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.24% | 94.45% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.14% | 85.14% |
CHEMBL2581 | P07339 | Cathepsin D | 91.63% | 98.95% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.25% | 97.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.60% | 86.33% |
CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 89.04% | 85.49% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.21% | 99.17% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.52% | 97.14% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.54% | 95.89% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.95% | 95.56% |
CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 83.81% | 96.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.67% | 89.00% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.20% | 97.25% |
CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 81.01% | 89.44% |
CHEMBL5555 | O00767 | Acyl-CoA desaturase | 81.00% | 97.50% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.20% | 95.89% |
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 | 16215161 |
LOTUS | LTS0219348 |
wikiData | Q105177991 |