2-[4-[2-[3-[3-(3,5-Dihydroxyphenyl)-4-hydroxy-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydro-1-benzofuran-6-yl]-4-hydroxy-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 | 7fbd200c-75ee-4d75-9a98-50490534648c |
Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
IUPAC Name | 2-[4-[2-[3-[3-(3,5-dihydroxyphenyl)-4-hydroxy-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydro-1-benzofuran-6-yl]-4-hydroxy-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(=C7C(C(OC7=C6)C8=CC=C(C=C8)OC9C(C(C(C(O9)CO)O)O)O)C1=CC(=CC(=C1)O)O)O)O)OC1C(C(C(C(O1)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(=C7C(C(OC7=C6)C8=CC=C(C=C8)OC9C(C(C(C(O9)CO)O)O)O)C1=CC(=CC(=C1)O)O)O)O)OC1C(C(C(C(O1)CO)O)O)O |
InChI | InChI=1S/C60H62O24/c61-22-40-47(68)50(71)53(74)58(82-40)77-33-9-3-25(4-10-33)1-2-26-15-36(66)45-38(16-26)80-57(28-7-13-35(14-8-28)79-60-55(76)52(73)49(70)42(24-63)84-60)44(45)30-19-37(67)46-39(20-30)81-56(43(46)29-17-31(64)21-32(65)18-29)27-5-11-34(12-6-27)78-59-54(75)51(72)48(69)41(23-62)83-59/h1-21,40-44,47-76H,22-24H2 |
InChI Key | KZBLHOUHUKBAQP-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C60H62O24 |
Molecular Weight | 1167.10 g/mol |
Exact Mass | 1166.36310284 g/mol |
Topological Polar Surface Area (TPSA) | 398.00 Ų |
XlogP | 2.30 |
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 | 99.61% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 96.36% | 91.49% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.64% | 97.09% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.15% | 96.00% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 93.93% | 95.93% |
CHEMBL3401 | O75469 | Pregnane X receptor | 92.28% | 94.73% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.68% | 89.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.42% | 95.56% |
CHEMBL3194 | P02766 | Transthyretin | 91.14% | 90.71% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.09% | 99.17% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.79% | 96.09% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.96% | 86.92% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.83% | 99.15% |
CHEMBL4208 | P20618 | Proteasome component C5 | 85.26% | 90.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.20% | 86.33% |
CHEMBL2581 | P07339 | Cathepsin D | 83.14% | 98.95% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.25% | 91.71% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.32% | 97.36% |
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 | 76028174 |
LOTUS | LTS0235207 |
wikiData | Q104667561 |