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5,7-Dihydroxycoumarin

CAT: 0804-HY-W072009-01Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-W072009-01Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
5,7-Dihydroxycoumarin is a coumarin isolated from the inflorescences of Macaranga triloba. 5,7-dihydroxycoumarin displays antibacterial characteristics with an MIC value in the range of 1000 mg/mL to >1000 mg/mL. Some 5,7-dihydroxycoumarin derivatives have antioxidant properties[1][2][3].
CAS Number
2732-18-5
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H332, H335
Target
Bacterial
Type
Natural Products
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/5-7-dihydroxycoumarin.html
Purity
99.47
Solubility
DMSO : 25 mg/mL (ultrasonic)
Smiles
O=C1C=CC2=C(C=C(C=C2O)O)O1
Molecular Formula
C9H6O4
Molecular Weight
178.14
Precautions
H302, H315, H319, H332, H335
References & Citations
[1]Ishak Zakaria, et al. Flavonoids with antiplasmodial and cytotoxic activities of Macaranga triloba. Fitoterapia. 2012 Jul;83 (5) :968-72.|[2]Yi-Ping Chin, et al. Synthesis and evaluation of antibacterial activities of 5,7-dihydroxycoumarin derivatives. Arch Pharm (Weinheim) . 2011 Jun;344 (6) :386-93.|[3]Lin M H, et al. Antioxidant properties of 5, 7-dihydroxycoumarin derivatives in in vitro cell-free and cell-containing systems. Journal of Experimental & Clinical Medicine, 2011, 3 (3) : 126-131.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

2H-1-Benzopyran-2-one, 5,7-dihydroxy-

5,7-Dihydroxycoumarin has been reported in Haplophyllum dauricum, Murraya siamensis, and other organisms with data available.

CAS Number2732-18-5
PubChem CID5324654
IUPAC Name5,7-dihydroxychromen-2-one
Molecular FormulaC9H6O4
Molecular Weight178.14
XLogP1.2
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity248
SMILES
C1=CC(=O)OC2=CC(=CC(=C21)O)O
InChI
InChI=1S/C9H6O4/c10-5-3-7(11)6-1-2-9(12)13-8(6)4-5/h1-4,10-11H
InChIKey
KIQQFVJHWNCGAU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2H-1-Benzopyran-2-one, 5,7-dihydroxy-
CAS: 2732-18-5
CID: 5324654
Formula: C9H6O4
MW: 178.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.14
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass178.02660867
Monoisotopic Mass178.02660867
Topological Polar Surface Area66.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity248
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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