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Alternapyrone

CAT: 0013-GTR19239491-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239491-02Size:50 mg
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Description
Alternapyrone is a fungal-derived α-pyrone phytotoxin that inhibits wheat seed germination. Its simple three-enzyme biosynthesis makes it a valuable tool for studying natural product biosynthesis and plant-pathogen interactions in both in vitro and in vivo experimental systems.
CAS Number
676340-02-6
Field of Research
Infectious Disease & Virology
Smiles
C (C/C (=C/C (=C/C (CCC/C (=C/C (CC) C) /C) C) /C) /C) (C) C1=C (C) C (O) =C (C) C (=O) O1
Molecular Formula
C28H44O3
Molecular Weight
428.65
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Alternapyrone

Alternapyrone is a member of the class of 2-pyranones that is 2H-pyran-2-one in which the hydrogens at positions 3, 4, 5 and 6 are replaced by methyl, hydroxy, methyl and (4E,6E,12E)-4,6,8,12,14-pentamethylhexadeca-4,6,12-trien-2-yl groups, respectively. It is a decaketide that is anabolized by a type I polyketide synthase in Alternaria solani. It has a role as a fungal metabolite. It is a decaketide, a heteroaryl hydroxy compound, a member of 2-pyranones and an olefinic compound.

CAS Number676340-02-6
PubChem CID57467994
IUPAC Name4-hydroxy-3,5-dimethyl-6-[(4E,6E,12E)-4,6,8,12,14-pentamethylhexadeca-4,6,12-trien-2-yl]pyran-2-one
Molecular FormulaC28H44O3
Molecular Weight428.6
XLogP8.8
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Heavy Atom Count31
Formal Charge0
Complexity789
SMILES
CCC(C)/C=C(\C)/CCCC(C)/C=C(\C)/C=C(\C)/CC(C)C1=C(C(=C(C(=O)O1)C)O)C
InChI
InChI=1S/C28H44O3/c1-10-18(2)14-19(3)12-11-13-20(4)15-21(5)16-22(6)17-23(7)27-24(8)26(29)25(9)28(30)31-27/h14-16,18,20,23,29H,10-13,17H2,1-9H3/b19-14+,21-15+,22-16+
InChIKey
ZPFTUJZLXSKBKE-NZDFSFLRSA-N
Chemical Structure
2D Structure
2D structure of Alternapyrone
CAS: 676340-02-6
CID: 57467994
Formula: C28H44O3
MW: 428.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.6
XLogP38.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Exact Mass428.32904526
Monoisotopic Mass428.32904526
Topological Polar Surface Area46.5 Ų
Heavy Atom Count31
Formal Charge0
Complexity789
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
464004Alternapyrone

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