Quercetin hydrate - CAS 849061-97-8
Catalog: |
BB037361 |
Product Name: |
Quercetin hydrate |
CAS: |
849061-97-8 |
Synonyms: |
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;hydrate |
IUPAC Name: | 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;hydrate |
Description: | Quercetin hydrate (CAS# 849061-97-8) is a PI 3-kinase inhibitor, GPR30 activator, and apoptosis inducer. |
Molecular Weight: | 302.24 (anhydrous basis) |
Molecular Formula: | C15H10O7 · xH2O |
Canonical SMILES: | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O.O |
InChI: | InChI=1S/C15H10O7.H2O/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6;/h1-5,16-19,21H;1H2 |
InChI Key: | OKXFBEYCJRMINR-UHFFFAOYSA-N |
Boiling Point: | 714.6 °C at 760 mmHg |
Solubility: | Other solvents(Soluble) : Acetone, Pyridine, Acetic acid |
Appearance: | Solid |
LogP: | 1.92370 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113304113-A | Co-amorphous solid dispersion for improving dissolution of quercetin and preparation method thereof | 20210531 |
US-2021317301-A1 | Methods and compositions comprising polyhydroxyalkanoate polymer blends | 20200410 |
WO-2021207700-A1 | Methods and compositions comprising degradable polylactide polymer blends | 20200410 |
CN-110075103-A | The purposes of Quercetin | 20190606 |
KR-20200128955-A | Method of improving adhestion strengths between the heterogeneous materials of metal and resin | 20190507 |
PMID | Publication Date | Title | Journal |
22954387 | 20120927 | Small molecule inhibitors of Bacillus anthracis protective antigen proteolytic activation and oligomerization | Journal of medicinal chemistry |
23056190 | 20120101 | A comprehensive strategy to discover inhibitors of the translesion synthesis DNA polymerase κ | PloS one |
21245542 | 20110201 | Structural analysis and multipole modelling of quercetin monohydrate--a quantitative and comparative study | Acta crystallographica. Section B, Structural science |
20565070 | 20100723 | An efficient and economical MTT assay for determining the antioxidant activity of plant natural product extracts and pure compounds | Journal of natural products |
19734910 | 20091001 | Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum | Nature chemical biology |
Complexity: | 488 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 320.05321734 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 6 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 320.05321734 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 128 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS