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(+) -Butin

CAT: 0013-GTR19233064Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19233064Size:1 mg
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Description
(+) -Butin is the R-enantiomer of the flavonoid butin, isolated from Dalbergia odorifera heartwood. This compound demonstrates significant antioxidant, antiplatelet, and anti-inflammatory activities, making it a valuable small molecule for research in pharmacology and oxidative stress studies, both in vitro and in vivo.
CAS Number
74628-42-5
Smiles
O=C1C=2C (O[C@H] (C1) C3=CC (O) =C (O) C=C3) =CC (O) =CC2
Molecular Formula
C15H12O5
Molecular Weight
272.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(+)-Butin
CAS Number74628-42-5
PubChem CID28125525
IUPAC Name(2R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one
Molecular FormulaC15H12O5
Molecular Weight272.25
XLogP1.8
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity371
SMILES
C1[C@@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C15H12O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-6,14,16-17,19H,7H2/t14-/m1/s1
InChIKey
MJBPUQUGJNAPAZ-CQSZACIVSA-N
Chemical Structure
2D Structure
2D structure of (+)-Butin
CAS: 74628-42-5
CID: 28125525
Formula: C15H12O5
MW: 272.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.25
XLogP31.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass272.06847348
Monoisotopic Mass272.06847348
Topological Polar Surface Area87 Ų
Heavy Atom Count20
Formal Charge0
Complexity371
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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