[2-[2-(5,7-Dihydroxy-8-methoxy-4-oxochromen-2-yl)-3-hydroxyphenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate
Internal ID | 711bf971-cfee-4024-82c3-792495ba4f4b |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 8-O-methylated flavonoids |
IUPAC Name | [2-[2-(5,7-dihydroxy-8-methoxy-4-oxochromen-2-yl)-3-hydroxyphenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate |
SMILES (Canonical) | COC1=C(C=C(C2=C1OC(=CC2=O)C3=C(C=CC=C3OC4C(C(C(C(O4)CO)O)O)OC(=O)C=CC5=CC(=C(C=C5)O)O)O)O)O |
SMILES (Isomeric) | COC1=C(C=C(C2=C1OC(=CC2=O)C3=C(C=CC=C3OC4C(C(C(C(O4)CO)O)O)OC(=O)C=CC5=CC(=C(C=C5)O)O)O)O)O |
InChI | InChI=1S/C31H28O15/c1-42-28-19(38)10-17(36)24-18(37)11-21(43-29(24)28)25-15(34)3-2-4-20(25)44-31-30(27(41)26(40)22(12-32)45-31)46-23(39)8-6-13-5-7-14(33)16(35)9-13/h2-11,22,26-27,30-36,38,40-41H,12H2,1H3 |
InChI Key | OOROWSDMVDNRBS-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C31H28O15 |
Molecular Weight | 640.50 g/mol |
Exact Mass | 640.14282018 g/mol |
Topological Polar Surface Area (TPSA) | 242.00 Ų |
XlogP | 2.40 |
There are no found synonyms. |
![2D Structure of [2-[2-(5,7-Dihydroxy-8-methoxy-4-oxochromen-2-yl)-3-hydroxyphenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate 2D Structure of [2-[2-(5,7-Dihydroxy-8-methoxy-4-oxochromen-2-yl)-3-hydroxyphenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/62556ce0-863f-11ee-a218-610c904e443f.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 | 99.80% | 91.11% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.14% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.33% | 86.33% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 95.99% | 91.49% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.44% | 96.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.77% | 95.56% |
CHEMBL3194 | P02766 | Transthyretin | 94.58% | 90.71% |
CHEMBL2581 | P07339 | Cathepsin D | 93.06% | 98.95% |
CHEMBL3401 | O75469 | Pregnane X receptor | 90.52% | 94.73% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.38% | 99.17% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.85% | 95.50% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.84% | 94.45% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.59% | 96.09% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 87.48% | 96.21% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.88% | 99.15% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.40% | 96.95% |
CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 84.44% | 80.78% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.11% | 97.09% |
CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.85% | 91.24% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.47% | 99.23% |
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.
Scutellaria discolor |
PubChem | 163045252 |
LOTUS | LTS0078407 |
wikiData | Q105195562 |