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1,2-Benzenediol,4-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]- (10083-24-6)

Identification
Name:1,2-Benzenediol,4-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]-
Synonyms:1,2-Benzenediol,4-[2-(3,5-dihydroxyphenyl)ethenyl]-, (E)-;3,3',4,5'-Stilbenetetrol, (E)-(8CI);Piceatannol (6CI);(E)-Piceatannol;Astringenin;trans-3,3',4,5'-Tetrahydroxystilbene;
CAS:10083-24-6
Molecular Formula: C14H12O4
Molecular Weight: 244.24268
InChI: InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+
Molecular Structure: (C14H12O4) 1,2-Benzenediol,4-[2-(3,5-dihydroxyphenyl)ethenyl]-, (E)-;3,3',4,5'-Stilbenetetrol, (E)-(8CI);Piceat...
Properties
Density:1.468 g/cm3
Refractive index:1.8
Water Solubility:H2O: 0.5 mg/mL
Solubility:H2O: 0.5 mg/mL
Appearance:light tan to yellow powder
Specification:

The cas register number of trans-Piceatannol is 10083-24-6. It also can be called as 3,4,3',5'-Tetrahydroxy-trans-stilbene and the IUPAC Name about this chemical is -[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol. It belongs to the following product categories, such as Stilbenes (substituted), Protein Kinase and so on. When you are using it, please avoid contact with skin and eyes.

Physical properties about trans-Piceatannol are: (1)ACD/LogP: 2.69; (2)ACD/LogD (pH 5.5): 2.69; (3)ACD/LogD (pH 7.4): 2.68; (4)ACD/BCF (pH 5.5): 64.92; (5)ACD/BCF (pH 7.4): 63.17; (6)ACD/KOC (pH 5.5): 690.03; (7)ACD/KOC (pH 7.4): 671.48; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 36.92Å2; (12)Index of Refraction: 1.8; (13)Molar Refractivity: 71.17 cm3; (14)Molar Volume: 166.3 cm3; (15)Polarizability: 28.21x10-24cm3; (16)Surface Tension: 82.9 dyne/cm; (17)Enthalpy of Vaporization: 80.68 kJ/mol; (18)Boiling Point: 507.3 °C at 760 mmHg; (19)Vapour Pressure: 6.51E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc2ccc(\C=C\c1cc(O)cc(O)c1)cc2O
(2)InChI: InChI=1/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+
(3)InChIKey: CDRPUGZCRXZLFL-OWOJBTEDBC
(4)Std. InChI: InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+
(5)Std. InChIKey: CDRPUGZCRXZLFL-OWOJBTEDSA-N

Biological Activity: Anti-inflammatory, immunomodulatory and antiproliferative agent. Inhibits p56 lck and syk protein tyrosine kinases and inhibits TNF-induced NF- κ B activation and gene expression. Synthesis results from conversion of resveratrol (5-[(1E)-2-(4-Hydroxyphenyl)ethenyl]-1,3,benzenediol ) by cytochrome P450 1B1.
Storage Temperature: 2-8°C
Color: light tan to yellow
Safety Data
 

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