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(-) -Decursinol

CAT: 0013-GTR19279242-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19279242-02Size:50 mg
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Description
(-) -Decursinol (Aegelinol; (-) -Smyrinol) is a natural pyranocoumarin compound that can be extracted from the roots of Apiaceae family plants, such as Ferulago campestris. It exhibits inhibitory effects against both Gram-positive bacteria (such as Staphylococcus aureus ATCC 13709 and Enterococcus faecalis ATCC 14428) and Gram-negative bacteria (such as Salmonella typhii ATCC 19430, Enterobacter cloacae ATCC 10699, and Enterobacter aerogenes ATCC 13048) with a minimum inhibitory concentration (MIC) range of 16 to 64 μg/mL. Additionally, (-) -Decursinol possesses antioxidant activity and can be utilized in bacterial infection research.
CAS Number
21860-31-1
Smiles
O[C@@H]1CC=2C (=CC3=C (C2) C=CC (=O) O3) OC1 (C) C
Molecular Formula
C14H14O4
Molecular Weight
246.26
Notes
For research use only.

Chemical Information

Aegelinol

(-)-decursinol has been reported in Angelica gigas, Seseli grandivittatum, and Kitagawia praeruptora with data available.

CAS Number21860-31-1
PubChem CID1150962
IUPAC Name(3R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one
Molecular FormulaC14H14O4
Molecular Weight246.26
XLogP1.9
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity387
SMILES
CC1([C@@H](CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)C
InChI
InChI=1S/C14H14O4/c1-14(2)12(15)6-9-5-8-3-4-13(16)17-10(8)7-11(9)18-14/h3-5,7,12,15H,6H2,1-2H3/t12-/m1/s1
InChIKey
BGXFQDFSVDZUIW-GFCCVEGCSA-N
Chemical Structure
2D Structure
2D structure of Aegelinol
CAS: 21860-31-1
CID: 1150962
Formula: C14H14O4
MW: 246.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight246.26
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass246.08920892
Monoisotopic Mass246.08920892
Topological Polar Surface Area55.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity387
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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