Chelidonic acid - CAS 99-32-1
Catalog: |
BB042277 |
Product Name: |
Chelidonic acid |
CAS: |
99-32-1 |
Synonyms: |
4-oxopyran-2,6-dicarboxylic acid |
IUPAC Name: | 4-oxopyran-2,6-dicarboxylic acid |
Description: | Chelidonic acid is a secondary metabolite found in several plants with therapeutic potential in allergic disorders in experimental animals. It is used as a mild analgesic, an antimicrobial, an acentral nervous system sedative. Chelidonic acid also shows anti-inflammatory activity and has potential to inhibit IL-6 production by blocking NF-κB and caspase-1. Chelidonic acid is a glutamate decarboxylase inhibitor, with a Ki of 1.2 μM. |
Molecular Weight: | 184.10 |
Molecular Formula: | C7H4O6 |
Canonical SMILES: | C1=C(OC(=CC1=O)C(=O)O)C(=O)O |
InChI: | InChI=1S/C7H4O6/c8-3-1-4(6(9)10)13-5(2-3)7(11)12/h1-2H,(H,9,10)(H,11,12) |
InChI Key: | PBAYDYUZOSNJGU-UHFFFAOYSA-N |
Boiling Point: | 471.3 °C at 760 mmHg |
Density: | 1.821 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00006577 |
LogP: | 0.03620 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112674290-A | Chicken sausage and preparation method thereof | 20210118 |
CN-112695313-A | Environment-friendly trivalent chromium color zinc passivation solution and preparation method and passivation process thereof | 20201223 |
CN-111977768-A | Efficient fluorine removal agent for treating fluorine-containing wastewater | 20200904 |
CN-111560016-A | Method for extracting and separating coptisine from celandine | 20200511 |
WO-2021141740-A1 | Low odor high level disinfectant | 20200107 |
PMID | Publication Date | Title | Journal |
22687399 | 20120101 | The therapeutic effect of chelidonic acid on ulcerative colitis | Biological & pharmaceutical bulletin |
21320026 | 20111201 | Inhibitory effects of chelidonic acid on IL-6 production by blocking NF-κB and caspase-1 in HMC-1 cells | Immunopharmacology and immunotoxicology |
21467620 | 20110401 | Statistically disordered short hydrogen bonds in (pipzH2)(cdoH)2 and a comparison with (pipzH2)(cdo)·H2O (pipz is piperazine and cdoH2 is chelidonic acid) | Acta crystallographica. Section C, Crystal structure communications |
20974310 | 20110101 | Beneficial effects of chelidonic acid on a model of allergic rhinitis | International immunopharmacology |
17478903 | 20070501 | Cationic, neutral and anionic metal(II) complexes derived from 4-oxo-4H-pyran-2,6-dicarboxylic acid (chelidonic acid) | Acta crystallographica. Section C, Crystal structure communications |
Complexity: | 316 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.00078784 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.00078784 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 101 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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