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1,3,5-Trihydroxy-4-prenylxanthone

CAT: 0013-GTR19188416-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19188416-01Size:25 mg
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Description
This prenylated xanthone is a phosphodiesterase 5 (PDE5) inhibitor (IC50 = 3.0 μM) and also exhibits cholinesterase inhibitory activity. It functions as an anti-inflammatory agent by suppressing LPS-induced NF-κB and AP-1 signaling pathways through interference with IRAK-1 posttranslational modification. This makes it a useful research tool for studying PDE-related, neurochemical, and innate immune signaling processes.
CAS Number
53377-61-0
Field of Research
Immunology & Inflammation, Metabolism Research, Pharmacology & Drug Discovery
Smiles
C (C=C (C) C) C1=C2C (C (=O) C=3C (O2) =C (O) C=CC3) =C (O) C=C1O
Molecular Formula
C18H16O5
Molecular Weight
312.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1,3,5-Trihydroxy-4-(3-methylbut-2-enyl)xanthen-9-one

1,3,5-Trihydroxy-4-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one has been reported in Anaxagorea luzonensis, Maclura cochinchinensis, and Maclura tricuspidata with data available.

CAS Number53377-61-0
PubChem CID10335672
IUPAC Name1,3,5-trihydroxy-4-(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=C2C(=C(C=C1O)O)C(=O)C3=C(O2)C(=CC=C3)O)C
InChI
InChI=1S/C18H16O5/c1-9(2)6-7-10-13(20)8-14(21)15-16(22)11-4-3-5-12(19)17(11)23-18(10)15/h3-6,8,19-21H,7H2,1-2H3
InChIKey
JCHQJCJKSHNCBA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3,5-Trihydroxy-4-(3-methylbut-2-enyl)xanthen-9-one
CAS: 53377-61-0
CID: 10335672
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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