5-hydroxy-6-methoxy-3-(4-methoxyphenyl)-7-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Internal ID | 9cf84b71-470d-4a3f-857d-1d62218beeeb |
Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavonoid O-glycosides |
IUPAC Name | 5-hydroxy-6-methoxy-3-(4-methoxyphenyl)-7-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
SMILES (Canonical) | COC1=CC=C(C=C1)C2=COC3=CC(=C(C(=C3C2=O)O)OC)OC4C(C(C(C(O4)CO)O)O)O |
SMILES (Isomeric) | COC1=CC=C(C=C1)C2=COC3=CC(=C(C(=C3C2=O)O)OC)O[C@H]4[C@@H]([C@H]([C@H]([C@@H](O4)CO)O)O)O |
InChI | InChI=1S/C23H24O11/c1-30-11-5-3-10(4-6-11)12-9-32-13-7-14(22(31-2)19(27)16(13)17(12)25)33-23-21(29)20(28)18(26)15(8-24)34-23/h3-7,9,15,18,20-21,23-24,26-29H,8H2,1-2H3/t15-,18-,20-,21+,23+/m0/s1 |
InChI Key | XKNZYDKRYPYTHS-BHPXHZLCSA-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 | 1.20 |
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 | 99.25% | 91.11% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.94% | 94.00% |
CHEMBL2581 | P07339 | Cathepsin D | 95.82% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.54% | 96.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.75% | 85.14% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.45% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.57% | 86.33% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.48% | 99.17% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 91.40% | 86.92% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.13% | 99.15% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.48% | 95.56% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 89.73% | 96.21% |
CHEMBL4208 | P20618 | Proteasome component C5 | 86.45% | 90.00% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.76% | 96.00% |
CHEMBL4302 | P08183 | P-glycoprotein 1 | 84.99% | 92.98% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 83.47% | 95.64% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.52% | 97.09% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.46% | 95.89% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.21% | 95.89% |
CHEMBL1907 | P15144 | Aminopeptidase N | 80.11% | 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.
Abrus precatorius |
PubChem | 162948074 |
LOTUS | LTS0188784 |
wikiData | Q105329610 |