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Product No: CG5935

5-[(E)-2-(4-Hydroxyphenyl)vinyl]-1,3-benzenediol, 95%

Name: 5-[(E)-2-(4-Hydroxyphenyl)vinyl]-1,3-benzenediol
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

501-36-0

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IUPAC name	5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
canonical smiles	C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O
inchi	InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
inchi key	LUKBXSAWLPMMSZ-OWOJBTEDSA-N
molecular formula	C14H12O3
synonyms	resveratrol 501-36-0 trans-resveratrol 3,4',5-Trihydroxystilbene (E)-5-(4-Hydroxystyryl)benzene-1,3-diol
Compound Description	Resveratrol is a stilbenol that is stilbene in which the phenyl groups are substituted at positions 3, 5, and 4' by hydroxy groups. It has a role as a phytoalexin, an antioxidant, a glioma-associated oncogene inhibitor and a geroprotector. It is a stilbenol, a polyphenol and a member of resorcinols. Resveratrol is a polyphenolic phytoalexin. It is a stilbenoid, a derivate of stilbene, and is produced in plants with the help of the enzyme stilbene synthase. It exists as cis- and trans- isomers. The trans- form can undergo isomerisation to the cis- form when heated or exposed to ultraviolet irradiation. In a 2004 issue of Science, Dr. Sinclair of Harvard University said resveratrol is not an easy molecule to protect from oxidation. It has been claimed that it is readily degraded by exposure to light, heat, and oxygen. However, studies find that Trans-resveratrol undergoes negligible oxidation in normal atmosphere at room temperature. Resveratrol is a plant polyphenol found in high concentrations in red grapes that has been proposed as a treatment for hyperlipidemia and to prevent fatty liver, diabetes, atherosclerosis and aging. Resveratrol use has not been associated with serum enzyme elevations or with clinically apparent liver injury. Resveratrol is a natural product found in Humulus lupulus, Malus, and other organisms with data available. Resveratrol is a phytoalexin derived from grapes and other food products with antioxidant and potential chemopreventive activities. Resveratrol induces phase II drug-metabolizing enzymes ; mediates anti-inflammatory effects and inhibits cyclooxygenase and hydroperoxidase functions ; and induces promyelocytic leukemia cell differentiation , thereby exhibiting activities in three major steps of carcinogenesis. This agent may inhibit TNF-induced activation of NF-kappaB in a dose- and time-dependent manner. Resveratrol is a metabolite found in or produced by Saccharomyces cerevisiae. A stilbene and non-flavonoid polyphenol produced by various plants including grapes and blueberries. It has anti-oxidant, anti-inflammatory, cardioprotective, anti-mutagenic, and anti-carcinogenic properties. It also inhibits platelet aggregation and the activity of several DNA HELICASES in vitro.

Computed Properties

Molecular Weight:	228.24 g/mol
XLogP3:	3.1
Hydrogen Bond Donor Count:	3
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	2
Exact Mass:	228.078644241 g/mol
Monoisotopic Mass:	228.078644241 g/mol
Topological Polar Surface Area:	60.7 Å²
Heavy Atom Count:	17
Formal Charge:	0
Complexity:	246
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Resveratrol

Piceatannol

Orcinol

(Z)-resveratrol

Pinosylvin

Oxyresveratrol

4-Hydroxyazobenzene

Dihydroresveratrol

3-Methoxy-4',5-dihydroxy-trans-stilbene

Phenylethyl resorcinol

Dihydropinosylvin

(E)-5-(4-Methoxystyryl)benzene-1,3-diol

4-Benzylresorcinol

4,4'-Dihydroxystilbene

cis-3,5,3',4'-Tetrahydroxystilbene

hazard signal	Danger
hazard classes and categories	Skin Irrit. 2 (14.01%) Eye Dam. 1 (10.19%) Eye Irrit. 2 (89.17%) STOT SE 3 (14.01%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (14.01%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (10.19%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (89.17%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (14.01%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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About this item

Documentation

Certificate of Analysis

Lot Number

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
canonical smiles	C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O
inchi	InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
inchi key	LUKBXSAWLPMMSZ-OWOJBTEDSA-N
molecular formula	C14H12O3
synonyms	resveratrol 501-36-0 trans-resveratrol 3,4',5-Trihydroxystilbene (E)-5-(4-Hydroxystyryl)benzene-1,3-diol
Compound Description	Resveratrol is a stilbenol that is stilbene in which the phenyl groups are substituted at positions 3, 5, and 4' by hydroxy groups. It has a role as a phytoalexin, an antioxidant, a glioma-associated oncogene inhibitor and a geroprotector. It is a stilbenol, a polyphenol and a member of resorcinols. Resveratrol is a polyphenolic phytoalexin. It is a stilbenoid, a derivate of stilbene, and is produced in plants with the help of the enzyme stilbene synthase. It exists as cis- and trans- isomers. The trans- form can undergo isomerisation to the cis- form when heated or exposed to ultraviolet irradiation. In a 2004 issue of Science, Dr. Sinclair of Harvard University said resveratrol is not an easy molecule to protect from oxidation. It has been claimed that it is readily degraded by exposure to light, heat, and oxygen. However, studies find that Trans-resveratrol undergoes negligible oxidation in normal atmosphere at room temperature. Resveratrol is a plant polyphenol found in high concentrations in red grapes that has been proposed as a treatment for hyperlipidemia and to prevent fatty liver, diabetes, atherosclerosis and aging. Resveratrol use has not been associated with serum enzyme elevations or with clinically apparent liver injury. Resveratrol is a natural product found in Humulus lupulus, Malus, and other organisms with data available. Resveratrol is a phytoalexin derived from grapes and other food products with antioxidant and potential chemopreventive activities. Resveratrol induces phase II drug-metabolizing enzymes ; mediates anti-inflammatory effects and inhibits cyclooxygenase and hydroperoxidase functions ; and induces promyelocytic leukemia cell differentiation , thereby exhibiting activities in three major steps of carcinogenesis. This agent may inhibit TNF-induced activation of NF-kappaB in a dose- and time-dependent manner. Resveratrol is a metabolite found in or produced by Saccharomyces cerevisiae. A stilbene and non-flavonoid polyphenol produced by various plants including grapes and blueberries. It has anti-oxidant, anti-inflammatory, cardioprotective, anti-mutagenic, and anti-carcinogenic properties. It also inhibits platelet aggregation and the activity of several DNA HELICASES in vitro.

Computed Properties

Molecular Weight:	228.24 g/mol
XLogP3:	3.1
Hydrogen Bond Donor Count:	3
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	2
Exact Mass:	228.078644241 g/mol
Monoisotopic Mass:	228.078644241 g/mol
Topological Polar Surface Area:	60.7 Å²
Heavy Atom Count:	17
Formal Charge:	0
Complexity:	246
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Resveratrol

Piceatannol

Orcinol

(Z)-resveratrol

Pinosylvin

Oxyresveratrol

4-Hydroxyazobenzene

Dihydroresveratrol

3-Methoxy-4',5-dihydroxy-trans-stilbene

Phenylethyl resorcinol

Dihydropinosylvin

(E)-5-(4-Methoxystyryl)benzene-1,3-diol

4-Benzylresorcinol

4,4'-Dihydroxystilbene

cis-3,5,3',4'-Tetrahydroxystilbene

hazard signal	Danger
hazard classes and categories	Skin Irrit. 2 (14.01%) Eye Dam. 1 (10.19%) Eye Irrit. 2 (89.17%) STOT SE 3 (14.01%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (14.01%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (10.19%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (89.17%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (14.01%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: CG5935

5-[(E)-2-(4-Hydroxyphenyl)vinyl]-1,3-benzenediol, 95%

Product No: CG5935

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: CG5935

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?