5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Internal ID | 4c68c0e3-7039-49a7-b6ac-a241eaea3880 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
IUPAC Name | 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
SMILES (Canonical) | COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC4C(C(C(C(O4)CO)O)O)O |
SMILES (Isomeric) | COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC4C(C(C(C(O4)CO)O)O)O |
InChI | InChI=1S/C23H24O11/c1-30-11-5-3-10(4-6-11)21-22(34-23-20(29)19(28)17(26)15(9-24)33-23)18(27)16-13(25)7-12(31-2)8-14(16)32-21/h3-8,15,17,19-20,23-26,28-29H,9H2,1-2H3 |
InChI Key | LDAMBCHZYBPAPF-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C23H24O11 |
Molecular Weight | 476.40 g/mol |
Exact Mass | 476.13186158 g/mol |
Topological Polar Surface Area (TPSA) | 164.00 Ų |
XlogP | 1.40 |
There are no found synonyms. |
![2D Structure of 5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 2D Structure of 5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/beb01c60-8646-11ee-a244-0f0d7b0ef14c.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 | 99.39% | 91.11% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.01% | 85.14% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.67% | 94.00% |
CHEMBL2581 | P07339 | Cathepsin D | 95.90% | 98.95% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.76% | 99.15% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.79% | 96.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.17% | 89.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.61% | 95.56% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.47% | 99.17% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 90.01% | 86.92% |
CHEMBL3401 | O75469 | Pregnane X receptor | 89.87% | 94.73% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.78% | 97.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.25% | 86.33% |
CHEMBL220 | P22303 | Acetylcholinesterase | 88.39% | 94.45% |
CHEMBL4208 | P20618 | Proteasome component C5 | 86.46% | 90.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.60% | 94.45% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 82.72% | 95.64% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.92% | 96.00% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.67% | 95.89% |
CHEMBL1907 | P15144 | Aminopeptidase N | 80.17% | 93.31% |
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.
Bauhinia variegata |
Phlomoides minutigalea |
PubChem | 74978374 |
LOTUS | LTS0195323 |
wikiData | Q105150121 |