3-[3,4-Dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy-7-[5-[1-[3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxyethyl]-3,4-dihydroxyoxolan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
Internal ID | ba105667-de98-4027-a59a-d9335f8ef09c |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
IUPAC Name | 3-[3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy-7-[5-[1-[3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxyethyl]-3,4-dihydroxyoxolan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one |
SMILES (Canonical) | CC(C1C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)C4C(C(C(O4)C(C)OC5C(C(C(O5)C(C)O)O)O)O)O)C6=CC=C(C=C6)O)O)O)O |
SMILES (Isomeric) | CC(C1C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)C4C(C(C(O4)C(C)OC5C(C(C(O5)C(C)O)O)O)O)O)C6=CC=C(C=C6)O)O)O)O |
InChI | InChI=1S/C33H40O17/c1-10(34)26-22(41)24(43)32(48-26)45-12(3)28-20(39)21(40)29(47-28)14-8-16(37)18-17(9-14)46-30(13-4-6-15(36)7-5-13)31(19(18)38)50-33-25(44)23(42)27(49-33)11(2)35/h4-12,20-29,32-37,39-44H,1-3H3 |
InChI Key | BRVZZNMAPDHDTF-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C33H40O17 |
Molecular Weight | 708.70 g/mol |
Exact Mass | 708.22654980 g/mol |
Topological Polar Surface Area (TPSA) | 275.00 Ų |
XlogP | -0.40 |
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 |
---|---|---|---|---|
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.54% | 85.14% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.28% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 99.10% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.71% | 89.00% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.20% | 99.15% |
CHEMBL3401 | O75469 | Pregnane X receptor | 93.91% | 94.73% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 92.66% | 95.64% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.51% | 96.09% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.47% | 94.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.40% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.37% | 86.33% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.63% | 94.45% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.93% | 90.71% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.66% | 99.17% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 82.74% | 95.78% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.68% | 95.89% |
CHEMBL2535 | P11166 | Glucose transporter | 82.59% | 98.75% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.48% | 99.23% |
CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.86% | 93.10% |
CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 81.31% | 97.53% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.10% | 97.09% |
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.
Macroptilium atropurpureum |
PubChem | 162962253 |
LOTUS | LTS0148842 |
wikiData | Q104945048 |