α-Angelica lactone

CAT: 0931-T7995-01Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No

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CAT#:0931-T7995-01Size:1 mL - 10 mM (in DMSO)

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CAS Number

591-12-8

Target

GST

Related Pathways

Oxidation-Reduction

Purity

0.9979

Bioactivity

α-Angelica lactone has cardiotonic activity, may exert their effects by providing an increased contraction-dependent calcium pool to be released upon systolic depolarization.

Smiles

CC=1OC(=O)CC1

Molecular Formula

C5H6O2

Molecular Weight

98.1

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

alpha-Angelica lactone

Alpha-angelica lactone is an angelica lactone and a butenolide. It is functionally related to a but-3-en-4-olide. It is a tautomer of a beta-angelica lactone.

CAS Number	591-12-8
PubChem CID	11559
IUPAC Name	5-methyl-3H-furan-2-one
Molecular Formula	C5H6O2
Molecular Weight	98.10
XLogP	0.6
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	124

SMILES

CC1=CCC(=O)O1

InChI

InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2H,3H2,1H3

InChIKey

QOTQFLOTGBBMEX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 591-12-8

CID: 11559

Formula: C5H6O2

MW: 98.10

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	98.10
XLogP3	0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	98.036779430
Monoisotopic Mass	98.036779430
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	124
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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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α-Angelica lactone

Chemical Information

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