5-Hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Internal ID | 48e7cb1b-0432-44b2-9330-f29a86f61ffc |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-8-O-glycosides |
IUPAC Name | 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
SMILES (Canonical) | COC1=C(C(=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O)OC |
SMILES (Isomeric) | COC1=C(C(=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O)OC |
InChI | InChI=1S/C23H24O12/c1-31-20-16(28)14-11(26)7-12(9-3-5-10(25)6-4-9)33-19(14)22(21(20)32-2)35-23-18(30)17(29)15(27)13(8-24)34-23/h3-7,13,15,17-18,23-25,27-30H,8H2,1-2H3 |
InChI Key | XZMJYQJEDADTPS-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C23H24O12 |
Molecular Weight | 492.40 g/mol |
Exact Mass | 492.12677620 g/mol |
Topological Polar Surface Area (TPSA) | 185.00 Ų |
XlogP | 0.80 |
There are no found synonyms. |
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 | 99.27% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 97.26% | 98.95% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.67% | 94.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.30% | 85.14% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.96% | 89.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.22% | 99.17% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 88.52% | 95.64% |
CHEMBL3401 | O75469 | Pregnane X receptor | 88.25% | 94.73% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.51% | 94.45% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.24% | 99.15% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.62% | 86.33% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.96% | 96.09% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.49% | 95.89% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 85.08% | 96.21% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.52% | 86.92% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.10% | 97.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.75% | 95.56% |
CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 83.14% | 83.57% |
CHEMBL242 | Q92731 | Estrogen receptor beta | 81.26% | 98.35% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.35% | 91.71% |
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.
Abrus precatorius |
Isodon eriocalyx |
Ocimum grandiflorum |
PubChem | 74977939 |
LOTUS | LTS0057636 |
wikiData | Q105345039 |