4-[3-(3,5-Dihydroxyphenyl)-6-hydroxy-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2-diol
Internal ID | 0187d2e6-b8ed-4a6f-8aa3-fec834564806 |
Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
IUPAC Name | 4-[3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2-diol |
SMILES (Canonical) | C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC(=C(C=C4)O)O)C5=CC(=CC(=C5)O)O)O |
SMILES (Isomeric) | C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC(=C(C=C4)O)O)C5=CC(=CC(=C5)O)O)O |
InChI | InChI=1S/C28H22O7/c29-19-6-2-15(3-7-19)1-4-16-9-22(32)14-25-26(16)27(18-10-20(30)13-21(31)11-18)28(35-25)17-5-8-23(33)24(34)12-17/h1-14,27-34H |
InChI Key | VJVQHVVOEFJLIO-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C28H22O7 |
Molecular Weight | 470.50 g/mol |
Exact Mass | 470.13655304 g/mol |
Topological Polar Surface Area (TPSA) | 131.00 Ų |
XlogP | 5.00 |
There are no found synonyms. |
![2D Structure of 4-[3-(3,5-Dihydroxyphenyl)-6-hydroxy-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2-diol 2D Structure of 4-[3-(3,5-Dihydroxyphenyl)-6-hydroxy-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2-diol](https://plantaedb.com/storage/docs/compounds/2023/11/e0709670-8306-11ee-84da-3941147a6f8a.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 | 99.31% | 91.11% |
CHEMBL3194 | P02766 | Transthyretin | 97.13% | 90.71% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 96.63% | 91.49% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.17% | 95.56% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.14% | 89.00% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.12% | 99.15% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.23% | 93.99% |
CHEMBL3401 | O75469 | Pregnane X receptor | 85.84% | 94.73% |
CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 84.98% | 89.67% |
CHEMBL242 | Q92731 | Estrogen receptor beta | 84.40% | 98.35% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.38% | 97.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.63% | 86.33% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.20% | 96.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.07% | 96.09% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.27% | 83.82% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.85% | 94.45% |
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.
Caragana rosea |
Caragana tibetica |
Cyperus longus |
Maackia amurensis |
Picea jezoensis subsp. jezoensis |
Smilax bracteata |
Syagrus romanzoffiana |
PubChem | 155288 |
LOTUS | LTS0273813 |
wikiData | Q105287551 |