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Mearnsetin

CAT: 0931-T3837-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T3837-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16805-10-0
Target
Antioxidant
Related Pathways
Oxidation-Reduction
Purity
0.98
Bioactivity
Mearnsetin has antioxidant activity.
Smiles
O=C1C=2C(OC(=C1O)C3=CC(O)=C(OC)C(O)=C3)=CC(O)=CC2O
Molecular Formula
C16H12O8
Molecular Weight
332.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mearnsetin

Mearnsetin is a hydroxyflavan.

CAS Number16805-10-0
PubChem CID10359384
IUPAC Name2-(3,5-dihydroxy-4-methoxyphenyl)-3,5,7-trihydroxychromen-4-one
Molecular FormulaC16H12O8
Molecular Weight332.26
XLogP1.5
Topological Polar Surface Area137
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity520
SMILES
COC1=C(C=C(C=C1O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
InChI
InChI=1S/C16H12O8/c1-23-16-9(19)2-6(3-10(16)20)15-14(22)13(21)12-8(18)4-7(17)5-11(12)24-15/h2-5,17-20,22H,1H3
InChIKey
HKEQVXVLTOSXLQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mearnsetin
CAS: 16805-10-0
CID: 10359384
Formula: C16H12O8
MW: 332.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.26
XLogP31.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass332.05321734
Monoisotopic Mass332.05321734
Topological Polar Surface Area137 Ų
Heavy Atom Count24
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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