2'-Hydroxy-4,4',6'-trimethoxychalcone - CAS 3420-72-2
Catalog: |
BB022009 |
Product Name: |
2'-Hydroxy-4,4',6'-trimethoxychalcone |
CAS: |
3420-72-2 |
Synonyms: |
2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-; Chalcone, 2'-hydroxy-4,4',6'-trimethoxy-; 1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one |
Application: |
anti-tumor activity; anti-inflammatory |
Related CAS: | 52077-37-9 (Deleted CAS)
|
IUPAC Name: | (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one |
Description: | A chalcone extracted from Kava, which has anticarcinogenic effect. It induces apoptosis in bladder cancer cells via a Bax protein-dependent and mitochondria-dependent apoptotic pathway. |
Molecular Weight: | 314.33 |
Molecular Formula: | C18H18O5 |
Canonical SMILES: | O(C)C1=C(C(C=CC2=CC=C(OC)C=C2)=O)C(O)=CC(OC)=C1 |
InChI: | InChI=1S/C18H18O5/c1-21-13-7-4-12(5-8-13)6-9-15(19)18-16(20)10-14(22-2)11-17(18)23-3/h4-11,20H,1-3H3 |
InChI Key: | CGIBCVBDFUTMPT-UHFFFAOYSA-N |
Boiling Point: | 529.9 °C at 760 mmHg |
Melting Point: | 112-116°C(lit.) |
Purity: | > 95 % |
Density: | 1.207 g/cm3 |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Yellow powder |
Storage: | 2-8°C |
MDL: | MFCD00017174 |
LogP: | 3.31410 |
Quality Standard: | Enterprise Standard |
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-112870363-A | Application of human PCID2 protein in preparation or screening of antitumor drugs and compound with antitumor activity | 20210403 |
CN-112656844-A | Medicine for preventing and treating osteoporosis | 20201214 |
WO-2021035123-A1 | Kava product made from noble kava and process of making the same | 20190821 |
KR-102265190-B1 | Novel chromenone derivatives having substituted biphenyl group and a pharmaceutical composition for prevention or treatment of allergic diseases compring the same | 20190321 |
KR-20200112201-A | Novel chromenone derivatives having substituted biphenyl group and a pharmaceutical composition for prevention or treatment of allergic diseases compring the same | 20190321 |
PMID | Publication Date | Title | Journal |
29985601 | 20181121 | Dual-Specificity Tyrosine Phosphorylation-Regulated Kinase 1A (DYRK1A) Inhibitors as Potential Therapeutics | Journal of medicinal chemistry |
23727179 | 20130801 | Suppression of iNOS and COX-2 expression by flavokawain A via blockade of NF-κB and AP-1 activation in RAW 264.7 macrophages | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association |
23062825 | 20121115 | Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine | Bioorganic & medicinal chemistry |
22112540 | 20120101 | Investigation of chalcones and benzochalcones as inhibitors of breast cancer resistance protein | Bioorganic & medicinal chemistry |
21475124 | 20110407 | A new abietene diterpene and other constituents from Kaempferia angustifolia Rosc | Molecules (Basel, Switzerland) |
Complexity: | 400 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 314.11542367 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 314.11542367 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 65 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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