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5,6,7,8,4'-Pentahydroxyflavone

CAT: 0804-HY-N15458-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N15458-01Size:5 mg
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Description
5,6,7,8,4'-Pentahydroxyflavone (Compound 2b) is a flavonoid with antitumor activity. 5,6,7,8,4'-Pentahydroxyflavone exerts cytotoxic effects via inhibiting cell proliferation and inducing apoptosis[1][2].
CAS Number
577-26-4
UNSPSC
12352005
Target
Apoptosis
Related Pathways
Apoptosis
Field of Research
Cancer
Concentration
10mM
Purity
98.32
Solubility
DMSO : ≥ 100 mg/mL
Smiles
O=C1C=C(C2=CC=C(O)C=C2)OC3=C1C(O)=C(O)C(O)=C3O
Molecular Formula
C15H10O7
Molecular Weight
302.24
References & Citations
[1]Ponce MA, et al. Flavonoids from shoots and roots of Trifolium repens (white clover) grown in presence or absence of the arbuscular mycorrhizal fungus Glomus intraradices. Phytochemistry. 2004 Jul;65 (13) :1925-30.|[2]TUDZAROVA-TRAJKOVSKA. METHODS AND COMPOSITIONS FOR TREATING OCULAR NEOVASCULAR DISEASE. WO2022245697. 24.11.2022.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light, stored under nitrogen)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-1-benzopyran-4-one is a pentahydroxyflavone that is flavone substituted by hydroxy groups at positions 5, 6, 7, 8, and 4' respectively.

CAS Number577-26-4
PubChem CID96506
IUPAC Name5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)chromen-4-one
Molecular FormulaC15H10O7
Molecular Weight302.23
XLogP2
Topological Polar Surface Area127
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity469
SMILES
C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)O)O)O)O)O
InChI
InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)9-5-8(17)10-11(18)12(19)13(20)14(21)15(10)22-9/h1-5,16,18-21H
InChIKey
SPZXXUUDYMHBSG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS: 577-26-4
CID: 96506
Formula: C15H10O7
MW: 302.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight302.23
XLogP32
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass302.04265265
Monoisotopic Mass302.04265265
Topological Polar Surface Area127 Ų
Heavy Atom Count22
Formal Charge0
Complexity469
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