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Sappanchalcone

CAT: 0931-TN2180-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TN2180-01Size:1 mg
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CAS Number
94344-54-4
Target
Bcl-2 Family, Apoptosis, IL Receptor, TNF
Related Pathways
Immunology/Inflammation, Apoptosis
Purity
0.9835
Bioactivity
Sappanchalcone shows xanthine oxidase inhibitory activity, is a xanthine oxidase inhibitor.
Smiles
COc1cc(O)ccc1C(=O)\C=C\c1ccc(O)c(O)c1
Molecular Formula
C16H14O5
Molecular Weight
286.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sappanchalcone

Sappanchalcone is a member of the class of chalcones that consists of trans-chalcone substituted by hydroxy groups at positions 3, 4 and 4' and a methoxy group at position 2'. Isolated from Caesalpinia sappan, it exhibits neuroprotective and cytoprotective activity. It has a role as an antioxidant, a metabolite, an anti-allergic agent and an anti-inflammatory agent. It is a member of chalcones, a monomethoxybenzene and a member of catechols. It is functionally related to a trans-chalcone.

CAS Number94344-54-4
PubChem CID5319493
IUPAC Name(E)-3-(3,4-dihydroxyphenyl)-1-(4-hydroxy-2-methoxyphenyl)prop-2-en-1-one
Molecular FormulaC16H14O5
Molecular Weight286.28
XLogP2.6
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity381
SMILES
COC1=C(C=CC(=C1)O)C(=O)/C=C/C2=CC(=C(C=C2)O)O
InChI
InChI=1S/C16H14O5/c1-21-16-9-11(17)4-5-12(16)13(18)6-2-10-3-7-14(19)15(20)8-10/h2-9,17,19-20H,1H3/b6-2+
InChIKey
JVGNTXGHBHMJDO-QHHAFSJGSA-N
Chemical Structure
2D Structure
2D structure of Sappanchalcone
CAS: 94344-54-4
CID: 5319493
Formula: C16H14O5
MW: 286.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.28
XLogP32.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass286.08412354
Monoisotopic Mass286.08412354
Topological Polar Surface Area87 Ų
Heavy Atom Count21
Formal Charge0
Complexity381
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
AB0062Sappanchalcone

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