[2-[4-(5,7-Dihydroxy-4-oxochromen-2-yl)phenoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 3-(4-hydroxyphenyl)prop-2-enoate
| Internal ID | 0dd531bd-98cd-4a86-a2ce-717b66a32aca |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides |
| IUPAC Name | [2-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 3-(4-hydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | C1=CC(=CC=C1C=CC(=O)OC2C(C(OC(C2O)OC3=CC=C(C=C3)C4=CC(=O)C5=C(C=C(C=C5O4)O)O)CO)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C=CC(=O)OC2C(C(OC(C2O)OC3=CC=C(C=C3)C4=CC(=O)C5=C(C=C(C=C5O4)O)O)CO)O)O |
| InChI | InChI=1S/C30H26O12/c31-14-24-27(37)29(42-25(36)10-3-15-1-6-17(32)7-2-15)28(38)30(41-24)39-19-8-4-16(5-9-19)22-13-21(35)26-20(34)11-18(33)12-23(26)40-22/h1-13,24,27-34,37-38H,14H2 |
| InChI Key | JOFMVECTSKDCMJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H26O12 |
| Molecular Weight | 578.50 g/mol |
| Exact Mass | 578.14242626 g/mol |
| Topological Polar Surface Area (TPSA) | 192.00 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of [2-[4-(5,7-Dihydroxy-4-oxochromen-2-yl)phenoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 3-(4-hydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/266bcc00-858a-11ee-b8e6-834d9dec7dc1.jpg "2D Structure of [2-[4-(5,7-Dihydroxy-4-oxochromen-2-yl)phenoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 3-(4-hydroxyphenyl)prop-2-enoate")
| 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 | 99.79% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.12% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 97.86% | 90.71% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 95.43% | 86.92% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 95.11% | 98.35% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.47% | 97.09% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 94.11% | 83.57% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.81% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.59% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.24% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.16% | 95.56% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 91.24% | 91.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.36% | 99.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.17% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.95% | 94.45% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 88.16% | 95.78% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.36% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.10% | 94.73% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.72% | 97.28% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.51% | 94.00% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 83.73% | 88.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.67% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.58% | 90.00% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.04% | 96.00% |
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.
| Marrubium anisodon |
| PubChem | 74963980 |
| LOTUS | LTS0187494 |
| wikiData | Q105132321 |