1-Acetoxypinoresinol
Internal ID | 15e90542-64e0-4daf-a346-197beab86d35 |
Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans |
IUPAC Name | [(3R,3aS,6S,6aR)-3,6-bis(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-yl] acetate |
SMILES (Canonical) | CC(=O)OC12COC(C1COC2C3=CC(=C(C=C3)O)OC)C4=CC(=C(C=C4)O)OC |
SMILES (Isomeric) | CC(=O)O[C@]12CO[C@@H]([C@H]1CO[C@@H]2C3=CC(=C(C=C3)O)OC)C4=CC(=C(C=C4)O)OC |
InChI | InChI=1S/C22H24O8/c1-12(23)30-22-11-29-20(13-4-6-16(24)18(8-13)26-2)15(22)10-28-21(22)14-5-7-17(25)19(9-14)27-3/h4-9,15,20-21,24-25H,10-11H2,1-3H3/t15-,20-,21-,22-/m1/s1 |
InChI Key | NATDFORNCKZPCI-FPHUIIFBSA-N |
Popularity | 3 references in papers |
Molecular Formula | C22H24O8 |
Molecular Weight | 416.40 g/mol |
Exact Mass | 416.14711772 g/mol |
Topological Polar Surface Area (TPSA) | 104.00 Ų |
XlogP | 1.80 |
81426-14-4 |
8-Acetoxypinoresinol |
[(3R,3aS,6S,6aR)-3,6-bis(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-yl] acetate |
C10544 |
(1S,3AS,4R,6aR)-1,4-bis(4-hydroxy-3-methoxyphenyl)hexahydrofuro[3,4-c]furan-3a-yl acetate |
[(1S,4S,5R,8R)-4,8-bis(4-hydroxy-3-methoxy-phenyl)-3,7-dioxabicyclo[3.3.0]oct-1-yl] acetate |
AC1L9DH2 |
CTK3E8310 |
CHEBI:582 |
DTXSID40331966 |
There are more than 10 synonyms. If you wish to see them all click here. |
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 | 99.52% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.75% | 96.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.03% | 85.14% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.40% | 94.45% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.80% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.21% | 86.33% |
CHEMBL2581 | P07339 | Cathepsin D | 89.45% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.36% | 89.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.17% | 97.09% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.93% | 94.00% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 84.65% | 91.49% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.20% | 91.19% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.04% | 97.14% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.89% | 92.94% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.67% | 99.17% |
CHEMBL2535 | P11166 | Glucose transporter | 82.06% | 98.75% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.44% | 92.62% |
CHEMBL5028 | O14672 | ADAM10 | 80.94% | 97.50% |
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.
Olea europaea |
PubChem | 442831 |
LOTUS | LTS0221217 |
wikiData | Q27105314 |