cis-2,4,5-Trimethoxy-1-propenylbenzene - CAS 5273-86-9
Catalog: |
BB027926 |
Product Name: |
cis-2,4,5-Trimethoxy-1-propenylbenzene |
CAS: |
5273-86-9 |
Synonyms: |
1,2,4-trimethoxy-5-[(Z)-prop-1-enyl]benzene |
Application: |
anti-inflammatory effects |
IUPAC Name: | 1,2,4-trimethoxy-5-[(Z)-prop-1-enyl]benzene |
Description: | β-Asarone isolated from the herbs of Asarum sieboldii Miq. It might be developed as a promising candidate to treat various neuroinflammatory diseases. |
Molecular Weight: | 208.25 |
Molecular Formula: | C12H16O3 |
Canonical SMILES: | CC=CC1=CC(=C(C=C1OC)OC)OC |
InChI: | InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5- |
InChI Key: | RKFAZBXYICVSKP-WAYWQWQTSA-N |
Boiling Point: | 296 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.028 g/cm3 |
Appearance: | Liquid |
LogP: | 2.74550 |
Quality Standard: | Enterprise Standard |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P273, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113499404-A | Functional compound moxibustion pure traditional Chinese medicine composition for inhibiting prostatic hyperplasia and preparation method thereof | 20210730 |
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PMID | Publication Date | Title | Journal |
32035120 | 20200515 | α-asarone induces cardiac defects and QT prolongation through mitochondrial apoptosis pathway in zebrafish | Toxicology letters |
25066769 | 20141001 | β-Asarone (cis-2,4,5-trimethoxy-1-allyl phenyl), attenuates pro-inflammatory mediators by inhibiting NF-κB signaling and the JNK pathway in LPS activated BV-2 microglia cells | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association |
22985635 | 20121121 | Cerebrovascular protection of β-asarone in Alzheimer's disease rats: a behavioral, cerebral blood flow, biochemical and genic study | Journal of ethnopharmacology |
22294454 | 20121001 | Anxiolytic-like effect of α-asarone in mice | Phytotherapy research : PTR |
22543703 | 20120601 | β-Asarone protects PC12 cells against OGD/R-induced injury via attenuating Beclin-1-dependent autophagy | Acta pharmacologica Sinica |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 208.109944368 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.109944368 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 27.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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