Cypellogin A
Internal ID | c965ac42-20f8-4647-9250-163d0e0432b3 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
IUPAC Name | [(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (4R)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate |
SMILES (Canonical) | CC(C)(C1CCC(=CC1)C(=O)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O |
SMILES (Isomeric) | CC(C)([C@@H]1CCC(=CC1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O |
InChI | InChI=1S/C31H34O14/c1-31(2,41)15-6-3-13(4-7-15)29(40)42-12-21-23(36)25(38)26(39)30(44-21)45-28-24(37)22-19(35)10-16(32)11-20(22)43-27(28)14-5-8-17(33)18(34)9-14/h3,5,8-11,15,21,23,25-26,30,32-36,38-39,41H,4,6-7,12H2,1-2H3/t15-,21+,23+,25-,26+,30-/m0/s1 |
InChI Key | GUDLVBZWVXAHOX-SCCIGHLQSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C31H34O14 |
Molecular Weight | 630.60 g/mol |
Exact Mass | 630.19485575 g/mol |
Topological Polar Surface Area (TPSA) | 233.00 Ų |
XlogP | 1.80 |
[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (4R)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate |
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 | 99.68% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 98.74% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.66% | 89.00% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 95.76% | 91.49% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.35% | 96.09% |
CHEMBL3401 | O75469 | Pregnane X receptor | 95.00% | 94.73% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 94.78% | 95.64% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.82% | 86.33% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.17% | 94.00% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.99% | 99.15% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 90.95% | 95.78% |
CHEMBL220 | P22303 | Acetylcholinesterase | 90.65% | 94.45% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.51% | 99.17% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.50% | 97.09% |
CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 87.31% | 93.65% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.41% | 92.50% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.69% | 95.89% |
CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 84.50% | 80.78% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.93% | 95.56% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.58% | 90.71% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.55% | 99.23% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.09% | 94.33% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.61% | 94.45% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.59% | 100.00% |
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.
Eucalyptus cypellocarpa |
PubChem | 11520146 |
LOTUS | LTS0197201 |
wikiData | Q105020027 |