Eupatolin

CAT: 0013-GTR19217600-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19217600-01Size:5 mg

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Description

Eupatolin is a natural flavonoid compound extracted from Rudbeckia hirta. It exhibits antioxidant and anti-inflammatory activities, making it valuable for pharmacological research. Studies include in vitro assays for enzyme inhibition and in vivo models investigating inflammation and oxidative stress in drug discovery.

CAS Number

29725-50-6

Smiles

O (C1=C (OC=2C (C1=O) =C (O) C (OC) =C (OC) C2) C3=CC (O) =C (O) C=C3) [C@H]4[C@H] (O) [C@H] (O) [C@@H] (O) [C@H] (C) O4

Molecular Formula

C23H24O12

Molecular Weight

492.43

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Eupatolin

Eupatolin is a glycoside and a member of flavonoids.

CAS Number	29725-50-6
PubChem CID	5317290
IUPAC Name	2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Molecular Formula	C23H24O12
Molecular Weight	492.4
XLogP	1.2
Topological Polar Surface Area	185
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	5
Heavy Atom Count	35
Formal Charge	0
Complexity	803

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=C(C(=C3C2=O)O)OC)OC)C4=CC(=C(C=C4)O)O)O)O)O

InChI

InChI=1S/C23H24O12/c1-8-15(26)18(29)19(30)23(33-8)35-22-17(28)14-12(7-13(31-2)21(32-3)16(14)27)34-20(22)9-4-5-10(24)11(25)6-9/h4-8,15,18-19,23-27,29-30H,1-3H3/t8-,15-,18+,19+,23-/m0/s1

InChIKey

NVZCGVLCUJLTSA-BOCAMIPNSA-N

Chemical Structure

2D Structure

CAS: 29725-50-6

CID: 5317290

Formula: C23H24O12

MW: 492.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	492.4
XLogP3	1.2
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	5
Exact Mass	492.12677620
Monoisotopic Mass	492.12677620
Topological Polar Surface Area	185 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	803
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
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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Eupatolin

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