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| CAS No.: | 19309-14-9 |
|---|---|
| Name: | CARDAMONIN |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C16H14O4 |
| Molecular Weight: | 270.285 |
| Synonyms: | 2-Propen-1-one,1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenyl-, (E)-;Chalcone, 2',4'-dihydroxy-6'-methoxy-(8CI);Alpinetin chalcone;Cardamomin; |
| Density: | 1.283 g/cm3 |
| Melting Point: | 199～200℃ |
| Boiling Point: | 484.468 °C at 760 mmHg |
| Flash Point: | 182.744 °C |
| Hazard Symbols: | N |
| Risk Codes: | 50/53 |
| Safety: | 61-24/25 |
| PSA: | 66.76000 |
| LogP: | 3.00250 |
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Specification
The Cardamonin with the cas number 19309-14-9 is also called Chalcone, 2',4'-dihydroxy-6'-methoxy-(8CI). The IUPAC name is (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one. The product's category is Chalcones. Its molecular formula is C16H14O4.
The properties of the chemical are: (1)ACD/LogP: 3.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.59; (4)ACD/LogD (pH 7.4): 2.86; (5)ACD/BCF (pH 5.5): 313.03; (6)ACD/BCF (pH 7.4): 58.4; (7)ACD/KOC (pH 5.5): 2097.25; (8)ACD/KOC (pH 7.4): 391.29; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.657; (14)Molar Refractivity: 77.55 cm3; (15)Molar Volume: 210.6 cm3; (16)Polarizability: 30.74×10-24cm3; (17)Surface Tension: 56.5 dyne/cm; (18)Enthalpy of Vaporization: 77.83 kJ/mol; (19)Vapour Pressure: 5.2×10-10 mmHg at 25°C.
Biological Activity: (1)Chalone analog that display anti-inflammatory activity; (2)Inhibits NO and PGE 2 production from LPS- and IFN- γ -induced RAW cells and inhibits TXB 2 production via the COX-1 and COX-2 pathways; (3)Inhibits NF- κ B activation via inhibition of I κ B α degradation and phosphorylation, I κ B kinase activation and NF- κ B nuclear translocation.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1c(O)cc(O)cc1OC)\C=C\c2ccccc2
(2)InChI: InChI=1/C16H14O4/c1-20-15-10-12(17)9-14(19)16(15)13(18)8-7-11-5-3-2-4-6-11/h2-10,17,19H,1H3/b8-7+
(3)InChIKey: NYSZJNUIVUBQMM-BQYQJAHWBN