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1,3,7-Trihydroxy-2-prenylxanthone

CAT: 0013-GTR19182919Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19182919Size:1 mg
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Description
Isombarraxanthone, also known as 1,3,7-trihydroxy-2-prenylxanthone, exhibits modest antibacterial properties in vitro. This natural product is utilized in research focused on microbial resistance and the bioactivity of plant-derived xanthones.
CAS Number
20245-39-0
Field of Research
Infectious Disease & Virology
Smiles
O=C1C2=CC (O) =CC=C2OC3=CC (O) =C (C (O) =C13) CC=C (C) C
Molecular Formula
C18H16O5
Molecular Weight
312.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1,3,7-Trihydroxy-2-(3-methylbut-2-enyl)-xanthone

1,3,7-trihydroxy-2-(3-methylbut-2-en-1-yl)xanthen-9-one has been reported in Garcinia paucinervis, Hypericum japonicum, and other organisms with data available.

CAS Number20245-39-0
PubChem CID5495920
IUPAC Name1,3,7-trihydroxy-2-(3-methylbut-2-enyl)xanthen-9-one
Molecular FormulaC18H16O5
Molecular Weight312.3
XLogP4.4
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity484
SMILES
CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C=C(C=C3)O)O)C
InChI
InChI=1S/C18H16O5/c1-9(2)3-5-11-13(20)8-15-16(17(11)21)18(22)12-7-10(19)4-6-14(12)23-15/h3-4,6-8,19-21H,5H2,1-2H3
InChIKey
FLWKTILHZPCXDW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3,7-Trihydroxy-2-(3-methylbut-2-enyl)-xanthone
CAS: 20245-39-0
CID: 5495920
Formula: C18H16O5
MW: 312.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.3
XLogP34.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass312.09977361
Monoisotopic Mass312.09977361
Topological Polar Surface Area87 Ų
Heavy Atom Count23
Formal Charge0
Complexity484
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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