4-[2-(3,5-dihydroxy-4-methoxyphenyl)ethenyl]-4',6,6'-trihydroxy-2'-(3-hydroxyphenyl)spiro[1-benzofuran-3,3'-2H-1-benzofuran]-2-one
Internal ID | fd893e6d-372d-4187-91b4-81d0a605b25e |
Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
IUPAC Name | 4-[2-(3,5-dihydroxy-4-methoxyphenyl)ethenyl]-4',6,6'-trihydroxy-2'-(3-hydroxyphenyl)spiro[1-benzofuran-3,3'-2H-1-benzofuran]-2-one |
SMILES (Canonical) | COC1=C(C=C(C=C1O)C=CC2=C3C(=CC(=C2)O)OC(=O)C34C(OC5=CC(=CC(=C45)O)O)C6=CC(=CC=C6)O)O |
SMILES (Isomeric) | COC1=C(C=C(C=C1O)C=CC2=C3C(=CC(=C2)O)OC(=O)C34C(OC5=CC(=CC(=C45)O)O)C6=CC(=CC=C6)O)O |
InChI | InChI=1S/C30H22O10/c1-38-27-21(35)7-14(8-22(27)36)5-6-15-9-18(32)12-23-25(15)30(29(37)40-23)26-20(34)11-19(33)13-24(26)39-28(30)16-3-2-4-17(31)10-16/h2-13,28,31-36H,1H3 |
InChI Key | KHGBPZCKVUBCGO-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C30H22O10 |
Molecular Weight | 542.50 g/mol |
Exact Mass | 542.12129689 g/mol |
Topological Polar Surface Area (TPSA) | 166.00 Ų |
XlogP | 4.20 |
There are no found synonyms. |
![2D Structure of 4-[2-(3,5-dihydroxy-4-methoxyphenyl)ethenyl]-4',6,6'-trihydroxy-2'-(3-hydroxyphenyl)spiro[1-benzofuran-3,3'-2H-1-benzofuran]-2-one 2D Structure of 4-[2-(3,5-dihydroxy-4-methoxyphenyl)ethenyl]-4',6,6'-trihydroxy-2'-(3-hydroxyphenyl)spiro[1-benzofuran-3,3'-2H-1-benzofuran]-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/e8c0bc50-864e-11ee-95d9-67d54cac1117.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 | 99.01% | 91.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.40% | 95.56% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.87% | 94.45% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.05% | 86.33% |
CHEMBL2581 | P07339 | Cathepsin D | 92.68% | 98.95% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.66% | 99.23% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.76% | 93.40% |
CHEMBL3401 | O75469 | Pregnane X receptor | 91.24% | 94.73% |
CHEMBL3194 | P02766 | Transthyretin | 91.10% | 90.71% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.98% | 89.00% |
CHEMBL236 | P41143 | Delta opioid receptor | 90.62% | 99.35% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.05% | 96.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.93% | 96.09% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.41% | 99.15% |
CHEMBL2535 | P11166 | Glucose transporter | 84.37% | 98.75% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 84.29% | 91.49% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.43% | 97.09% |
CHEMBL1929 | P47989 | Xanthine dehydrogenase | 80.53% | 96.12% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.51% | 94.00% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.43% | 93.99% |
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.
Yucca schidigera |
PubChem | 78182645 |
LOTUS | LTS0072962 |
wikiData | Q105141138 |