Polyozellin

CAT: 0013-GTR19256133-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19256133-02Size:50 mg

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Description

Polyozellin is a prolyl endopeptidase inhibitor with properties effective against inflammation, cancer, and diseases related to oxidative stress.

CAS Number

197703-46-1

Field of Research

Metabolism Research, Protein Biochemistry

Smiles

O=C (OC=1C (OC (=O) C) =C2C (OC=3C=C (O) C (O) =CC32) =C4OC5=CC (O) =C (O) C=C5C14) C

Molecular Formula

C22H14O10

Molecular Weight

438.341

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Benzo(2,1-b:3,4-b)bisbenzofuran-2,3,5,6,8,9-hexol, 5,6-diacetate

CAS Number	197703-46-1
PubChem CID	145972991
IUPAC Name	(12-acetyloxy-6,7,16,17-tetrahydroxy-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-11-yl) acetate
Molecular Formula	C22H14O10
Molecular Weight	438.3
XLogP	3.5
Topological Polar Surface Area	160
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	4
Heavy Atom Count	32
Formal Charge	0
Complexity	697

SMILES

CC(=O)OC1=C(C2=C(C3=C1C4=CC(=C(C=C4O3)O)O)OC5=CC(=C(C=C52)O)O)OC(=O)C

InChI

InChI=1S/C22H14O10/c1-7(23)29-19-17-9-3-11(25)13(27)5-15(9)31-21(17)22-18(20(19)30-8(2)24)10-4-12(26)14(28)6-16(10)32-22/h3-6,25-28H,1-2H3

InChIKey

NOBAAHRLFGFAOS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 197703-46-1

CID: 145972991

Formula: C22H14O10

MW: 438.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	438.3
XLogP3	3.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	4
Exact Mass	438.05869664
Monoisotopic Mass	438.05869664
Topological Polar Surface Area	160 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	697
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-N15070	Polyozellin