Eupatorin

CAT: 0931-T7032Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-T7032Size:1 mg

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CAS Number

855-96-9

Target

Cytochromes P450, Apoptosis

Related Pathways

Metabolism, Apoptosis

Purity

0.9809

Bioactivity

Eupatorin has antiproliferative and antiangiogenic effects. Eupatorin has antiproliferative and cytostatic effects on MDA-MB-468 human breast cancer cells due to CYP1-mediated metabolism. Eupatorin-induced cell death is mediated by both the extrinsic and the intrinsic apoptotic pathways and through a mechanism dependent on reactive oxygen species generation. Eupatorin also has meaningful anti-inflammatory property.

Smiles

COc1ccc(cc1O)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1

Molecular Formula

C18H16O7

Molecular Weight

344.32

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Eupatorin

Eupatorin is a trimethoxyflavone that is 6-hydroxyluteolin in which the phenolic hydogens at positions 4', 6 and 7 have been replaced by methyl groups. It has a role as a Brassica napus metabolite, an antineoplastic agent, a vasodilator agent, a calcium channel blocker, a P450 inhibitor, an anti-inflammatory agent and an apoptosis inducer. It is a polyphenol, a trimethoxyflavone and a dihydroxyflavone. It is functionally related to a 6-hydroxyluteolin.

CAS Number	855-96-9
PubChem CID	97214
IUPAC Name	5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one
Molecular Formula	C18H16O7
Molecular Weight	344.3
XLogP	2.9
Topological Polar Surface Area	94.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	520

SMILES

COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O

InChI

InChI=1S/C18H16O7/c1-22-12-5-4-9(6-10(12)19)13-7-11(20)16-14(25-13)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3

InChIKey

KLAOKWJLUQKWIF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 855-96-9

CID: 97214

Formula: C18H16O7

MW: 344.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	344.3
XLogP3	2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	344.08960285
Monoisotopic Mass	344.08960285
Topological Polar Surface Area	94.5 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	520
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

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Catalog	Name
T82432-01	Eupatolin
T3362-01	Eupatilin
TN1632-01	Euparin
TN8908-01	Polysacharide of Eupatorium japonicum

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Catalog	Name
TRC-E938840-10MG	Eupatorin
FE65553-01	Eupatorin - 98%
XE165300-01	Eupatorin - 94%
HY-N2374R	Eupatorin (Standard)
sc-497435	Eupatorin-d3
MBS5762389	Eupatorin-5-methylether
FE23208-01	Eupatorin 5-methyl ether
HY-N8930-01	Eupatorin-5-methyl ether
TRC-E938852-25MG	Eupatorin-d3 5-Methyl Ether

Eupatorin

Chemical Information

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