Acacetin 7-[apiosyl(1->6)-glucoside]
Internal ID | 67de310f-cc3a-40bf-9cac-652253509518 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
IUPAC Name | 7-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one |
SMILES (Canonical) | COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)COC5C(C(CO5)(CO)O)O)O)O)O)O |
SMILES (Isomeric) | COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)COC5C(C(CO5)(CO)O)O)O)O)O)O |
InChI | InChI=1S/C27H30O14/c1-36-13-4-2-12(3-5-13)17-8-16(30)20-15(29)6-14(7-18(20)40-17)39-25-23(33)22(32)21(31)19(41-25)9-37-26-24(34)27(35,10-28)11-38-26/h2-8,19,21-26,28-29,31-35H,9-11H2,1H3 |
InChI Key | FSUVCZVLSOYPAU-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 |
CHEBI:191504 |
5-Hydroxy-2-(4-methoxyphenyl)-7-[(6-O-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one |
Apigenin 4'-methyl ether 7-apiosyl (1->6)-glucopyranoside |
7-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one |
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 | 99.75% | 91.11% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.97% | 94.00% |
CHEMBL2581 | P07339 | Cathepsin D | 95.63% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.44% | 89.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.12% | 95.56% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.59% | 97.09% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.98% | 99.15% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.24% | 94.45% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.18% | 85.14% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 91.39% | 86.92% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.37% | 86.33% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.08% | 95.89% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 89.06% | 95.93% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.52% | 99.23% |
CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 86.46% | 96.69% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.39% | 96.09% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 85.62% | 97.36% |
CHEMBL220 | P22303 | Acetylcholinesterase | 85.15% | 94.45% |
CHEMBL4581 | P52732 | Kinesin-like protein 1 | 84.30% | 93.18% |
CHEMBL3401 | O75469 | Pregnane X receptor | 83.66% | 94.73% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.38% | 97.28% |
CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 83.24% | 95.53% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.09% | 96.95% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 81.84% | 91.49% |
CHEMBL1907 | P15144 | Aminopeptidase N | 81.71% | 93.31% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.25% | 95.83% |
CHEMBL4208 | P20618 | Proteasome component C5 | 81.19% | 90.00% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.84% | 97.14% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.55% | 95.89% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.26% | 92.94% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.09% | 96.77% |
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.
Carthamus tinctorius |
Crotalaria podocarpa |
PubChem | 74977556 |
LOTUS | LTS0107622 |
wikiData | Q105000878 |