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Dihydrocoumarin

CAT: 0804-HY-N1926-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0804-HY-N1926-01Size:25 g
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Description
Dihydrocoumarin is a compound found in Melilotus officinalis. Dihydrocoumarin is a yeast Sir2p inhibitor. Dihydrocoumarin also inhibits human SIRT1 and SIRT2 with IC50s of 208 μM and 295 μM, respectively[1].
CAS Number
119-84-6
Product Name Alternative
Hydrocoumarin; Chroman-2-one
UNSPSC
12352005
Hazard Statement
H302, H317
Target
Sirtuin
Type
Natural Products
Related Pathways
Cell Cycle/DNA Damage; Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/Dihydrocoumarin.html
Purity
99.81
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C1CCC2=CC=CC=C2O1
Molecular Formula
C9H8O2
Molecular Weight
148.16
Precautions
H302, H317
References & Citations
[1]Olaharski AJ, et al. The flavoring agent Dihydrocoumarin reverses epigenetic silencing and inhibits sirtuindeacetylases. PLoS Genet. 2005 Dec;1 (6) :e77.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported
Isoform
SIRT1; SIRT2

Chemical Information

Dihydrocoumarin

3,4-dihydrocoumarin is a chromanone that is the 3,4-dihydro derivative of coumarin. It has a role as a plant metabolite. It is functionally related to a coumarin.

CAS Number119-84-6
PubChem CID660
IUPAC Name3,4-dihydrochromen-2-one
Molecular FormulaC9H8O2
Molecular Weight148.16
XLogP1.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity165
SMILES
C1CC(=O)OC2=CC=CC=C21
InChI
InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2
InChIKey
VMUXSMXIQBNMGZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dihydrocoumarin
CAS: 119-84-6
CID: 660
Formula: C9H8O2
MW: 148.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight148.16
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass148.052429494
Monoisotopic Mass148.052429494
Topological Polar Surface Area26.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity165
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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