CAS 88761-64-2 | 1,2,3-Benzenetriol, 5-[2-(3,5-dihydroxyphenyl)ethenyl]- | CAS Number 88761-64-2

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88761-64-2 | 1,2,3-Benzenetriol, 5-[2-(3,5-dihydroxyphenyl)ethenyl]-

CAS No: 88761-64-2 Catalog No: AG004B98 MDL No:

Product Description

Catalog Number:

AG004B98

Chemical Name:

1,2,3-Benzenetriol, 5-[2-(3,5-dihydroxyphenyl)ethenyl]-

CAS Number:

88761-64-2

Molecular Formula:

C14H12O5

Molecular Weight:

260.2421

IUPAC Name:

5-[2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2,3-triol

InChI:

InChI=1S/C14H12O5/c15-10-3-8(4-11(16)7-10)1-2-9-5-12(17)14(19)13(18)6-9/h1-7,15-19H

InChI Key:

PBRNOKNVNSKDQZ-UHFFFAOYSA-N

SMILES:

Oc1cc(C=Cc2cc(O)c(c(c2)O)O)cc(c1)O

Properties

Complexity:

297

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

260.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

260.245g/mol

Monoisotopic Mass:

260.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

101A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
3,3',4,5,5'-Pentahydroxy-trans-stilbene, a resveratrol derivative, induces apoptosis in colorectal carcinoma cells via oxidative stress.	European journal of pharmacology 20100710
The resveratrol analogue 3,5,3',4',5'-pentahydroxy-trans-stilbene inhibits cell transformation via MEK.	International journal of cancer 20081201
Crystal and molecular structure of piceatannol; scavenging features of resveratrol and piceatannol on hydroxyl and peroxyl radicals and docking with transthyretin.	Journal of agricultural and food chemistry 20081126
Resveratrol directly targets COX-2 to inhibit carcinogenesis.	Molecular carcinogenesis 20081001
alpha-Glucosidase inhibitors from the seeds of Syagrus romanzoffiana.	Phytochemistry 20080301
Inhibition of cell transformation by resveratrol and its derivatives: differential effects and mechanisms involved.	Oncogene 20030410