5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Internal ID | 86ca78a7-2196-4dff-a65d-dc02b49c6780 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
IUPAC Name | 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one |
SMILES (Canonical) | COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)COC6C(C(C(C(O6)CO)O)O)O)O)O)O)O |
SMILES (Isomeric) | COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)COC6C(C(C(C(O6)CO)O)O)O)O)O)O)O |
InChI | InChI=1S/C34H42O22/c1-49-14-4-10(2-3-12(14)37)30-31(23(42)19-13(38)5-11(6-15(19)52-30)51-33-28(47)25(44)21(40)17(8-36)54-33)56-34-29(48)26(45)22(41)18(55-34)9-50-32-27(46)24(43)20(39)16(7-35)53-32/h2-6,16-18,20-22,24-29,32-41,43-48H,7-9H2,1H3 |
InChI Key | LQPFCZMAURITGZ-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C34H42O22 |
Molecular Weight | 802.70 g/mol |
Exact Mass | 802.21677296 g/mol |
Topological Polar Surface Area (TPSA) | 354.00 Ų |
XlogP | -3.30 |
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 | 99.18% | 91.11% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.19% | 94.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.91% | 85.14% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.49% | 96.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.45% | 89.00% |
CHEMBL2581 | P07339 | Cathepsin D | 94.73% | 98.95% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.81% | 99.15% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.43% | 86.33% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.74% | 99.17% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 90.23% | 86.92% |
CHEMBL3401 | O75469 | Pregnane X receptor | 89.08% | 94.73% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.68% | 95.56% |
CHEMBL220 | P22303 | Acetylcholinesterase | 88.00% | 94.45% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.52% | 97.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.45% | 94.45% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.19% | 95.78% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.05% | 96.00% |
CHEMBL3194 | P02766 | Transthyretin | 81.93% | 90.71% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.79% | 96.21% |
CHEMBL4208 | P20618 | Proteasome component C5 | 80.22% | 90.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.16% | 95.89% |
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.
Allium neapolitanum |
Tribulus terrestris |
PubChem | 74978253 |
LOTUS | LTS0080743 |
wikiData | Q105155652 |