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Cercosporamide 2mg

CAT: 0628-A15362-2Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0628-A15362-2Size:2 mg
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CAS Number
131436-22-1

Chemical Information

Cercosporamide

Cercosporamide is a member of the class of dibenzofurans that is a potent broad spectrum antifungal agent isolated from the fungus Cercosporidium henningsii. It has a role as an antifungal agent, a phytotoxin, a fungal metabolite and an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a polyphenol, a monocarboxylic acid amide, a member of dibenzofurans and a methyl ketone.

CAS Number131436-22-1
PubChem CID131379
IUPAC Name(9aS)-8-acetyl-1,3,7-trihydroxy-9a-methyl-9-oxodibenzofuran-4-carboxamide
Molecular FormulaC16H13NO7
Molecular Weight331.28
XLogP0.9
Topological Polar Surface Area147
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity709
SMILES
CC(=O)C1=C(C=C2[C@@](C1=O)(C3=C(C=C(C(=C3O2)C(=O)N)O)O)C)O
InChI
InChI=1S/C16H13NO7/c1-5(18)10-7(20)4-9-16(2,14(10)22)12-8(21)3-6(19)11(15(17)23)13(12)24-9/h3-4,19-21H,1-2H3,(H2,17,23)/t16-/m1/s1
InChIKey
GEWLYFZWVLXQME-MRXNPFEDSA-N
Chemical Structure
2D Structure
2D structure of Cercosporamide
CAS: 131436-22-1
CID: 131379
Formula: C16H13NO7
MW: 331.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight331.28
XLogP30.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass331.06920175
Monoisotopic Mass331.06920175
Topological Polar Surface Area147 Ų
Heavy Atom Count24
Formal Charge0
Complexity709
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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Alternative Products

CatalogName
C164-5MGCercosporamide
TBI2505-1MGCercosporamide, Mnk inhibitor

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