Acacetin-7-glucuronide
| Internal ID | 51ced3ce-39ab-402c-81a7-365ea302d0ba |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glucuronides > Flavonoid-7-O-glucuronides |
| IUPAC Name | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid |
| SMILES (Canonical) | COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O |
| SMILES (Isomeric) | COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O |
| InChI | InChI=1S/C22H20O11/c1-30-10-4-2-9(3-5-10)14-8-13(24)16-12(23)6-11(7-15(16)32-14)31-22-19(27)17(25)18(26)20(33-22)21(28)29/h2-8,17-20,22-23,25-27H,1H3,(H,28,29)/t17-,18-,19+,20-,22+/m0/s1 |
| InChI Key | ZWVNKIJIVBIMSW-SXFAUFNYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H20O11 |
| Molecular Weight | 460.40 g/mol |
| Exact Mass | 460.10056145 g/mol |
| Topological Polar Surface Area (TPSA) | 172.00 Ų |
| XlogP | 1.40 |
| Acacetin-7-glucuronide |
| MEGxp0_001349 |
| CHEMBL4860522 |
| ACon1_001340 |
| HY-N12028 |
| AKOS040734978 |
| NCGC00180610-01 |
| CS-0890702 |
| BRD-K74971001-001-01-5 |
| 38226-83-4 |
| 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 | 99.10% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.82% | 91.49% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.45% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.76% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.37% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.35% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.23% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.74% | 94.00% |
| CHEMBL3194 | P02766 | Transthyretin | 91.99% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.07% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.51% | 99.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.32% | 95.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.92% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.87% | 94.73% |
| CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 84.38% | 89.23% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 84.06% | 87.67% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.89% | 99.23% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 83.43% | 81.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.99% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.84% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.71% | 94.45% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.33% | 93.31% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.93% | 91.71% |
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.
| Collinsonia japonica |
| Lycopus asper |
| Meehania fargesii |
| Onopordum illyricum |
| Tripora divaricata |
| PubChem | 15344014 |
| LOTUS | LTS0134321 |
| wikiData | Q105385262 |