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Eupatilin

CAT: 0926-FE73950-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-FE73950-01Size:50 mg
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CAS Number
22368-21-4
Synonyms
2- (3,4-Dimethoxyphenyl) -5,7-dihydroxy-6-methoxychromen-4-one
MDL Number
MFCD13194819
Smiles
COC1=C (C=C (C=C1) C2=CC (=O) C3=C (O2) C=C (C (=C3O) OC) O) OC
Molecular Formula
C18H16O7
Molecular Weight
344.32 g/mol
Controlled
No

Chemical Information

Eupatilin

Eupatilin is a trimethoxyflavone that is flavone substituted by hydroxy groups at C-5 and C-7 and methoxy groups at C-6, C-3' and C-4' respectively. Isolated from Citrus reticulata and Salvia tomentosa, it exhibits anti-inflammatory, anti-ulcer and antineoplastic activities. It has a role as a metabolite, an antineoplastic agent, an anti-ulcer drug, an EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor and an anti-inflammatory agent. It is a trimethoxyflavone and a dihydroxyflavone.

CAS Number22368-21-4
PubChem CID5273755
IUPAC Name2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one
Molecular FormulaC18H16O7
Molecular Weight344.3
XLogP2.9
Topological Polar Surface Area94.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity520
SMILES
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC
InChI
InChI=1S/C18H16O7/c1-22-12-5-4-9(6-14(12)23-2)13-7-10(19)16-15(25-13)8-11(20)18(24-3)17(16)21/h4-8,20-21H,1-3H3
InChIKey
DRRWBCNQOKKKOL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Eupatilin
CAS: 22368-21-4
CID: 5273755
Formula: C18H16O7
MW: 344.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.3
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass344.08960285
Monoisotopic Mass344.08960285
Topological Polar Surface Area94.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity520
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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