7-[3-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(4-hydroxyphenyl)-5-methoxychromen-4-one
Internal ID | 52ff561a-ab74-40cb-a7a3-8e808fd9b1da |
Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavonoid O-glycosides |
IUPAC Name | 7-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(4-hydroxyphenyl)-5-methoxychromen-4-one |
SMILES (Canonical) | COC1=CC(=CC2=C1C(=O)C(=CO2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(CO5)(CO)O)O |
SMILES (Isomeric) | COC1=CC(=CC2=C1C(=O)C(=CO2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(CO5)(CO)O)O |
InChI | InChI=1S/C27H30O14/c1-36-16-6-14(7-17-19(16)20(31)15(9-37-17)12-2-4-13(30)5-3-12)39-25-23(22(33)21(32)18(8-28)40-25)41-26-24(34)27(35,10-29)11-38-26/h2-7,9,18,21-26,28-30,32-35H,8,10-11H2,1H3 |
InChI Key | YKJQINPKOMCDAR-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C27H30O14 |
Molecular Weight | 578.50 g/mol |
Exact Mass | 578.16355563 g/mol |
Topological Polar Surface Area (TPSA) | 214.00 Ų |
XlogP | -0.60 |
There are no found synonyms. |
![2D Structure of 7-[3-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(4-hydroxyphenyl)-5-methoxychromen-4-one 2D Structure of 7-[3-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(4-hydroxyphenyl)-5-methoxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/271d4360-8611-11ee-acb2-6f892920ed0b.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 | 99.42% | 91.11% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.57% | 94.00% |
CHEMBL2581 | P07339 | Cathepsin D | 96.74% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.29% | 89.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.65% | 95.56% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.13% | 97.09% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 92.25% | 95.93% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.15% | 86.33% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.97% | 96.09% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 91.74% | 97.28% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.04% | 95.89% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.90% | 86.92% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.10% | 94.45% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 87.81% | 96.21% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.44% | 96.00% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.04% | 97.14% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.27% | 95.89% |
CHEMBL4208 | P20618 | Proteasome component C5 | 85.65% | 90.00% |
CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 85.14% | 96.09% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.83% | 90.71% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.41% | 94.33% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 83.39% | 95.83% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 83.20% | 97.36% |
CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 82.50% | 95.53% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.19% | 92.94% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.79% | 99.23% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.23% | 94.75% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.22% | 95.78% |
CHEMBL242 | Q92731 | Estrogen receptor beta | 80.59% | 98.35% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.57% | 99.15% |
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.
Eriosema tuberosum |
PubChem | 163036784 |
LOTUS | LTS0183478 |
wikiData | Q105349730 |