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Cytosporone C

CAT: 0931-T75474-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T75474-01Size:5 mg
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CAS Number
321661-63-6
Target
Antifungal, Others
Related Pathways
Microbiology/Virology, Others
Bioactivity
Cytosporone C, an antifungal metabolite produced by the Diaporthe eucalyptorum fungus associated with Melia azedarach, demonstrates antifungal efficacy against Alternaria solani [1].
Smiles
C(CCCCCC)C1C=2C(=CC(O)=CC2O)CC(=O)O1
Molecular Formula
C16H22O4
Molecular Weight
278.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cytosporone C

cytosporone C has been reported in Pestalotiopsis and Cytospora with data available.

CAS Number321661-63-6
PubChem CID10778975
IUPAC Name1-heptyl-6,8-dihydroxy-1,4-dihydroisochromen-3-one
Molecular FormulaC16H22O4
Molecular Weight278.34
XLogP4
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity318
SMILES
CCCCCCCC1C2=C(CC(=O)O1)C=C(C=C2O)O
InChI
InChI=1S/C16H22O4/c1-2-3-4-5-6-7-14-16-11(9-15(19)20-14)8-12(17)10-13(16)18/h8,10,14,17-18H,2-7,9H2,1H3
InChIKey
UBUGNGHURFYFHC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cytosporone C
CAS: 321661-63-6
CID: 10778975
Formula: C16H22O4
MW: 278.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight278.34
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass278.15180918
Monoisotopic Mass278.15180918
Topological Polar Surface Area66.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity318
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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