Hypolaetin 7-glucoside
Internal ID | 9a0da915-72c1-443c-83b7-9dc5a0548f31 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,8-dihydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
SMILES (Canonical) | C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC4C(C(C(C(O4)CO)O)O)O)O)O)O |
SMILES (Isomeric) | C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O |
InChI | InChI=1S/C21H20O12/c22-6-14-16(27)18(29)19(30)21(33-14)32-13-5-11(26)15-10(25)4-12(31-20(15)17(13)28)7-1-2-8(23)9(24)3-7/h1-5,14,16,18-19,21-24,26-30H,6H2/t14-,16-,18+,19-,21-/m1/s1 |
InChI Key | BIPHTXZNUUXTIC-GHNMMOQISA-N |
Popularity | 0 references in papers |
Molecular Formula | C21H20O12 |
Molecular Weight | 464.40 g/mol |
Exact Mass | 464.09547607 g/mol |
Topological Polar Surface Area (TPSA) | 207.00 Ų |
XlogP | 0.20 |
HY-N11493 |
CS-0648069 |
![2D Structure of Hypolaetin 7-glucoside 2D Structure of Hypolaetin 7-glucoside](https://plantaedb.com/storage/docs/compounds/2023/11/hypolaetin-7-glucoside.jpg)
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 | 99.58% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 95.63% | 91.49% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.45% | 94.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.13% | 89.00% |
CHEMBL2581 | P07339 | Cathepsin D | 94.94% | 98.95% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.72% | 99.15% |
CHEMBL3194 | P02766 | Transthyretin | 92.03% | 90.71% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 91.22% | 86.92% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 90.18% | 96.21% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.86% | 86.33% |
CHEMBL220 | P22303 | Acetylcholinesterase | 88.54% | 94.45% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.72% | 99.17% |
CHEMBL3401 | O75469 | Pregnane X receptor | 85.73% | 94.73% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.35% | 95.56% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.00% | 94.45% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.44% | 95.89% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 82.11% | 95.78% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.67% | 97.09% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.14% | 90.71% |
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.
Lavandula coronopifolia |
Stachys alopecuros |
PubChem | 44217932 |
LOTUS | LTS0092487 |
wikiData | Q104936690 |