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2-HBA

CAT: 0931-T7374-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T7374-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
131359-24-5
Target
Reductase, Caspase, NADPH
Related Pathways
Metabolism, Apoptosis, Proteases/Proteasome, Endocrinology/Hormones
Purity
0.9976
Bioactivity
2-HBA, a synthetic analog of curcumin, is an indirect inducer of enzymes that catalyze detoxification reactions through the Keap1-Nrf2-ARE pathway.
Smiles
Oc1ccccc1\C=C\C(=O)\C=C\c1ccccc1O
Molecular Formula
C17H14O3
Molecular Weight
266.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one
CAS Number131359-24-5
PubChem CID5472867
IUPAC Name(1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one
Molecular FormulaC17H14O3
Molecular Weight266.29
XLogP3.4
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity338
SMILES
C1=CC=C(C(=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2O)O
InChI
InChI=1S/C17H14O3/c18-15(11-9-13-5-1-3-7-16(13)19)12-10-14-6-2-4-8-17(14)20/h1-12,19-20H/b11-9+,12-10+
InChIKey
YNVAHBUBGBLIEY-WGDLNXRISA-N
Chemical Structure
2D Structure
2D structure of (1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one
CAS: 131359-24-5
CID: 5472867
Formula: C17H14O3
MW: 266.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight266.29
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass266.094294304
Monoisotopic Mass266.094294304
Topological Polar Surface Area57.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity338
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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BUP06541-012-HBA
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