hydrangeic acid 4'-O-beta-D-glucopyranoside
Internal ID | 89714ed0-bc5d-4b33-b5a4-15ed82f577b8 |
Taxonomy | Phenylpropanoids and polyketides > Stilbenes > Stilbene glycosides |
IUPAC Name | 2-hydroxy-6-[(E)-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethenyl]benzoic acid |
SMILES (Canonical) | C1=CC(=C(C(=C1)O)C(=O)O)C=CC2=CC=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O |
SMILES (Isomeric) | C1=CC(=C(C(=C1)O)C(=O)O)/C=C/C2=CC=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
InChI | InChI=1S/C21H22O9/c22-10-15-17(24)18(25)19(26)21(30-15)29-13-8-5-11(6-9-13)4-7-12-2-1-3-14(23)16(12)20(27)28/h1-9,15,17-19,21-26H,10H2,(H,27,28)/b7-4+/t15-,17-,18+,19-,21-/m1/s1 |
InChI Key | NHIDPRPJJPJNAB-PQMYGHKGSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C21H22O9 |
Molecular Weight | 418.40 g/mol |
Exact Mass | 418.12638228 g/mol |
Topological Polar Surface Area (TPSA) | 157.00 Ų |
XlogP | 2.10 |
hydrangeic acid 4'-O-beta-D-glucopyranoside |
CHEMBL1813263 |
Q27136621 |
2-{(E)-2-[4-(beta-D-glucopyranosyloxy)phenyl]ethenyl}-6-hydroxybenzoic acid |
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 | 97.98% | 91.11% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 97.41% | 96.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.96% | 95.56% |
CHEMBL3194 | P02766 | Transthyretin | 93.73% | 90.71% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.69% | 86.33% |
CHEMBL3401 | O75469 | Pregnane X receptor | 91.21% | 94.73% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.18% | 99.17% |
CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 89.49% | 83.57% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.68% | 96.09% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.79% | 99.15% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.48% | 97.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.92% | 89.00% |
CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.34% | 94.62% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.19% | 95.50% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.45% | 93.56% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.83% | 95.89% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.43% | 99.23% |
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.
Scorzonera psychrophila |
PubChem | 53359461 |
LOTUS | LTS0274267 |
wikiData | Q27136621 |