Products for Research Use Only
RegisterLogin

(+) -Catechin pentaacetate

CAT: 0804-HY-N3555Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-N3555Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
(+) -Catechin pentaacetate is a precursor for the production of (+) catechin. (+) catechin is a useful natural herbicide and antimicrobial. (+) -Catechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM[1][2].
CAS Number
16198-01-9
UNSPSC
12352005
Target
COX
Type
Natural Products
Related Pathways
Immunology/Inflammation
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/plus-catechin-pentaacetate.html
Solubility
10 mM in DMSO
Smiles
CC(OC1=C2C(O[C@H](C3=CC(OC(C)=O)=C(OC(C)=O)C=C3)[C@@H](OC(C)=O)C2)=CC(OC(C)=O)=C1)=O
Molecular Formula
C25H24O11
Molecular Weight
500.45
References & Citations
[1]Veluri R, et al. Phytotoxic and antimicrobial activities of catechin derivatives. J Agric Food Chem. 2004 Mar 10;52 (5) :1077-82.|[2]Waffo-Téguo P, et al. Potential cancer-chemopreventive activities of wine stilbenoids and flavans extracted from grape (Vitis vinifera) cell cultures. Nutr Cancer. 2001;40 (2) :173-9.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Catechin Pentaacetate

(2R,3S)-3,7-bis(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-3,4-dihydro-2H-1-benzopyran-5-yl acetate has been reported in Begonia glabra, Berchemia floribunda, and other organisms with data available.

CAS Number16198-01-9
PubChem CID5315742
IUPAC Name[(2R,3S)-5,7-diacetyloxy-2-(3,4-diacetyloxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate
Molecular FormulaC25H24O11
Molecular Weight500.4
XLogP2.4
Topological Polar Surface Area141
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Heavy Atom Count36
Formal Charge0
Complexity855
SMILES
CC(=O)O[C@H]1CC2=C(C=C(C=C2OC(=O)C)OC(=O)C)O[C@@H]1C3=CC(=C(C=C3)OC(=O)C)OC(=O)C
InChI
InChI=1S/C25H24O11/c1-12(26)31-18-9-21(33-14(3)28)19-11-24(35-16(5)30)25(36-22(19)10-18)17-6-7-20(32-13(2)27)23(8-17)34-15(4)29/h6-10,24-25H,11H2,1-5H3/t24-,25+/m0/s1
InChIKey
BKYWAYNSDFXIPL-LOSJGSFVSA-N
Chemical Structure
2D Structure
2D structure of Catechin Pentaacetate
CAS: 16198-01-9
CID: 5315742
Formula: C25H24O11
MW: 500.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.4
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass500.13186158
Monoisotopic Mass500.13186158
Topological Polar Surface Area141 Ų
Heavy Atom Count36
Formal Charge0
Complexity855
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-N2919Bergenin pentaacetate
HY-N1188Syringin pentaacetate
HY-124512-01Quercetin pentaacetate
HY-N3827Epicatechin pentaacetate
HY-N0898A-01(-) -Catechin
HY-N0898-01Catechin
HY-B1890-01(±) -Catechin
HY-W039923-01β-D-Galactose pentaacetate
HY-W039898-01α-D-Mannose pentaacetate
HY-N3238Mulberrofuran G pentaacetate

Alternative Products

CatalogName
TB00383Catechin pentaacetate
M37765-01(+) -Catechin pentaacetate
TC019123Catechin
T8255-01(±) -Catechin
TRC-C217500-1G(+)-Catechin
GK7856-5mg(-) -Catechin
BISN0111-01(+) -Catechin
MBS5768008(-)-Catechin

Popular Products