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1,3,6-Trihydroxy-5-methoxyxanthone

CAT: 0804-HY-N10786Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N10786Size:1 Each
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Description
1,3,6-Trihydroxy-5-methoxyxanthone is a nature product that could be isolated form the root bark of Tovomita krukovii. 1,3,6-Trihydroxy-5-methoxyxanthone has anti-fungal effect[1][2].
CAS Number
41357-84-0
UNSPSC
12352005
Target
Fungal
Type
Natural Products
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/1-3-6-trihydroxy-5-methoxyxanthone.html
Solubility
10 mM in DMSO
Smiles
O=C1C2=CC=C(C(OC)=C2OC3=C1C(O)=CC(O)=C3)O
Molecular Formula
C14H10O6
Molecular Weight
274.23
References & Citations
[1]Zhang Z, et, al. Natural products inhibiting Candida albicans secreted aspartic proteases from Tovomita krukovii. Planta Med. 2002 Jan;68 (1) :49-54.|[2]Ghosal S, et, al. Chemical constituents of gentianaceae. IV. New xanthones of Canscora decussata. J Pharm Sci. 1973 Jan;62 (1) :137-9.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

1,3,6-Trihydroxy-5-methoxyxanthone

1,3,6-Trihydroxy-5-methoxyxanthone is a member of xanthones.

CAS Number41357-84-0
PubChem CID5493675
IUPAC Name1,3,6-trihydroxy-5-methoxyxanthen-9-one
Molecular FormulaC14H10O6
Molecular Weight274.22
XLogP2.4
Topological Polar Surface Area96.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity386
SMILES
COC1=C(C=CC2=C1OC3=CC(=CC(=C3C2=O)O)O)O
InChI
InChI=1S/C14H10O6/c1-19-14-8(16)3-2-7-12(18)11-9(17)4-6(15)5-10(11)20-13(7)14/h2-5,15-17H,1H3
InChIKey
OIDDYVZHNYQRKQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3,6-Trihydroxy-5-methoxyxanthone
CAS: 41357-84-0
CID: 5493675
Formula: C14H10O6
MW: 274.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight274.22
XLogP32.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass274.04773803
Monoisotopic Mass274.04773803
Topological Polar Surface Area96.2 Ų
Heavy Atom Count20
Formal Charge0
Complexity386
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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