3-[3-(2,4-dihydroxybenzoyl)-3-hydroxy-2-(4-hydroxyphenyl)-2H-1-benzofuran-5-yl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one
Internal ID | 351f4068-269c-4142-823f-746247664d84 |
Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
IUPAC Name | 3-[3-(2,4-dihydroxybenzoyl)-3-hydroxy-2-(4-hydroxyphenyl)-2H-1-benzofuran-5-yl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one |
SMILES (Canonical) | C1=CC(=CC=C1C2C(C3=C(O2)C=CC(=C3)C=CC(=O)C4=C(C=C(C=C4)O)O)(C(=O)C5=C(C=C(C=C5)O)O)O)O |
SMILES (Isomeric) | C1=CC(=CC=C1C2C(C3=C(O2)C=CC(=C3)C=CC(=O)C4=C(C=C(C=C4)O)O)(C(=O)C5=C(C=C(C=C5)O)O)O)O |
InChI | InChI=1S/C30H22O9/c31-18-5-3-17(4-6-18)29-30(38,28(37)22-10-8-20(33)15-26(22)36)23-13-16(2-12-27(23)39-29)1-11-24(34)21-9-7-19(32)14-25(21)35/h1-15,29,31-33,35-36,38H |
InChI Key | GDMUJTCVAAEMOF-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C30H22O9 |
Molecular Weight | 526.50 g/mol |
Exact Mass | 526.12638228 g/mol |
Topological Polar Surface Area (TPSA) | 165.00 Ų |
XlogP | 4.80 |
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 | 98.84% | 91.11% |
CHEMBL3194 | P02766 | Transthyretin | 95.85% | 90.71% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.55% | 94.45% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.63% | 89.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.06% | 95.56% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.79% | 97.09% |
CHEMBL1929 | P47989 | Xanthine dehydrogenase | 89.36% | 96.12% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.34% | 95.50% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.20% | 93.40% |
CHEMBL206 | P03372 | Estrogen receptor alpha | 88.65% | 97.64% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.07% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.23% | 86.33% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.37% | 99.15% |
CHEMBL4208 | P20618 | Proteasome component C5 | 83.99% | 90.00% |
CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.94% | 85.00% |
CHEMBL242 | Q92731 | Estrogen receptor beta | 81.82% | 98.35% |
CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.37% | 85.11% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.05% | 97.28% |
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.
Ochna calodendron |
PubChem | 163037687 |
LOTUS | LTS0209296 |
wikiData | Q105006810 |