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5,7,4'-Trihydroxy-8-Methylflavanone

CAT: 0804-HY-N2210-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N2210-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
5,7,4'-Trihydroxy-8-Methylflavanone (Compound 2) is a flavanone isolated from Qualea grandiflora[1].
CAS Number
916917-28-7
Product Name Alternative
8-Methyl-naringenine
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/5-7-4-trihydroxy-8-methylflavanone.html
Purity
99.94
Solubility
10 mM in DMSO
Smiles
O=C1CC(C2=CC=C(O)C=C2)OC3=C(C)C(O)=CC(O)=C13
Molecular Formula
C16H14O5
Molecular Weight
286.28
References & Citations
[1]Fausto Carnevale Neto, et al. Dereplication of phenolic derivatives of Qualea grandiflora and Qualea cordata (Vochysiaceae) using liquid chromatography coupled with ESI-QToF-MS/MS. J. Braz. Chem. Soc. May 2013, 24 (5) .
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

5,7,4'-Trihydroxy-8-methylflavanone

8-Methylnaringenin has been reported in Rhododendron spinuliferum with data available.

CAS Number916917-28-7
PubChem CID16094542
IUPAC Name5,7-dihydroxy-2-(4-hydroxyphenyl)-8-methyl-2,3-dihydrochromen-4-one
Molecular FormulaC16H14O5
Molecular Weight286.28
XLogP2.8
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity390
SMILES
CC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC=C(C=C3)O
InChI
InChI=1S/C16H14O5/c1-8-11(18)6-12(19)15-13(20)7-14(21-16(8)15)9-2-4-10(17)5-3-9/h2-6,14,17-19H,7H2,1H3
InChIKey
GMVYLXBMPRDZDR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,7,4'-Trihydroxy-8-methylflavanone
CAS: 916917-28-7
CID: 16094542
Formula: C16H14O5
MW: 286.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.28
XLogP32.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass286.08412354
Monoisotopic Mass286.08412354
Topological Polar Surface Area87 Ų
Heavy Atom Count21
Formal Charge0
Complexity390
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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