2-[3-hydroxy-4-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,4-dihydro-2H-chromene-3,5,7-triol
Internal ID | 13ef5739-5140-428e-804d-33c6d327524e |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides |
IUPAC Name | 2-[3-hydroxy-4-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,4-dihydro-2H-chromene-3,5,7-triol |
SMILES (Canonical) | COC1=C(C=C(C=C1OC2C(C(C(C(O2)CO)O)O)O)C3C(CC4=C(C=C(C=C4O3)O)O)O)O |
SMILES (Isomeric) | COC1=C(C=C(C=C1OC2C(C(C(C(O2)CO)O)O)O)C3C(CC4=C(C=C(C=C4O3)O)O)O)O |
InChI | InChI=1S/C22H26O12/c1-31-21-12(26)2-8(20-13(27)6-10-11(25)4-9(24)5-14(10)32-20)3-15(21)33-22-19(30)18(29)17(28)16(7-23)34-22/h2-5,13,16-20,22-30H,6-7H2,1H3 |
InChI Key | FHINLKPLNHTRNY-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C22H26O12 |
Molecular Weight | 482.40 g/mol |
Exact Mass | 482.14242626 g/mol |
Topological Polar Surface Area (TPSA) | 199.00 Ų |
XlogP | -0.40 |
There are no found synonyms. |
![2D Structure of 2-[3-hydroxy-4-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,4-dihydro-2H-chromene-3,5,7-triol 2D Structure of 2-[3-hydroxy-4-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,4-dihydro-2H-chromene-3,5,7-triol](https://plantaedb.com/storage/docs/compounds/2023/11/3dcb87f0-852e-11ee-8f8c-df8f7844b6f5.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 | 99.57% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.33% | 96.09% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.48% | 97.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.07% | 85.14% |
CHEMBL2581 | P07339 | Cathepsin D | 88.86% | 98.95% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.42% | 86.33% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.96% | 99.17% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.27% | 89.00% |
CHEMBL3401 | O75469 | Pregnane X receptor | 85.80% | 94.73% |
CHEMBL4208 | P20618 | Proteasome component C5 | 85.13% | 90.00% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.10% | 95.89% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.87% | 94.00% |
CHEMBL2535 | P11166 | Glucose transporter | 83.48% | 98.75% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.23% | 95.56% |
CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.25% | 82.38% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.92% | 94.45% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.38% | 96.00% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.30% | 95.83% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.16% | 97.14% |
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.
Gymnosporia senegalensis |
PubChem | 78189855 |
LOTUS | LTS0199831 |
wikiData | Q104995280 |