2-[4-[2-[4-Hydroxy-3-[3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydro-1-benzofuran-6-yl]ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Internal ID | ec77a25c-fb83-43a0-814f-8d4d65fcc3a0 |
Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
IUPAC Name | 2-[4-[2-[4-hydroxy-3-[3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydro-1-benzofuran-6-yl]ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
SMILES (Canonical) | C1=CC(=CC=C1C=CC2=CC(=C3C(C(OC3=C2)C4=CC=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)C6=CC(=CC(=C6)OC7C(C(C(C(O7)CO)O)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O |
SMILES (Isomeric) | C1=CC(=CC=C1C=CC2=CC(=C3C(C(OC3=C2)C4=CC=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)C6=CC(=CC(=C6)OC7C(C(C(C(O7)CO)O)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O |
InChI | InChI=1S/C46H52O21/c47-16-29-34(52)37(55)40(58)44(65-29)61-24-7-3-19(4-8-24)1-2-20-11-27(51)33-28(12-20)64-43(21-5-9-25(10-6-21)62-45-41(59)38(56)35(53)30(17-48)66-45)32(33)22-13-23(50)15-26(14-22)63-46-42(60)39(57)36(54)31(18-49)67-46/h1-15,29-32,34-60H,16-18H2 |
InChI Key | GKIDYSBSNCRKKQ-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C46H52O21 |
Molecular Weight | 940.90 g/mol |
Exact Mass | 940.30010866 g/mol |
Topological Polar Surface Area (TPSA) | 348.00 Ų |
XlogP | 0.00 |
There are no found synonyms. |
![2D Structure of 2-[4-[2-[4-Hydroxy-3-[3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydro-1-benzofuran-6-yl]ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 2D Structure of 2-[4-[2-[4-Hydroxy-3-[3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydro-1-benzofuran-6-yl]ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/f791c7d0-874c-11ee-af3e-d3abed910f2f.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 | 99.62% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 97.45% | 91.49% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.42% | 97.09% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 93.78% | 86.92% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.64% | 96.00% |
CHEMBL3401 | O75469 | Pregnane X receptor | 93.17% | 94.73% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 92.38% | 95.93% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.65% | 95.56% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.57% | 89.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.03% | 99.17% |
CHEMBL3194 | P02766 | Transthyretin | 89.21% | 90.71% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.57% | 96.09% |
CHEMBL2581 | P07339 | Cathepsin D | 88.43% | 98.95% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.47% | 86.33% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.46% | 99.15% |
CHEMBL4208 | P20618 | Proteasome component C5 | 82.97% | 90.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.54% | 95.89% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.36% | 97.36% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.22% | 91.71% |
CHEMBL2039 | P27338 | Monoamine oxidase B | 80.06% | 92.51% |
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.
Gnetum gnemon |
PubChem | 162976343 |
LOTUS | LTS0080021 |
wikiData | Q104667673 |