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Herbacetin

CAT: 0926-FH66578-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-FH66578-02Size:5 mg
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CAS Number
527-95-7
Synonyms
3,5,7,8,4'-Pentahydroxyflavone;8-Hydroxykaempferol
MDL Number
MFCD00210585
Smiles
C1=CC (=CC=C1C2=C (C (=O) C3=C (O2) C (=C (C=C3O) O) O) O) O
Molecular Formula
C15H10O7
Molecular Weight
302.24 g/mol
Controlled
No

Chemical Information

Herbacetin

Herbacetin is a pentahydroxyflavone that is kaempferol substituted by a hydroxy group at position 8. It is a natural flavonoid from flaxseed which exerts antioxidant, anti-inflammatory and anticancer activities. It has a role as an EC 4.1.1.17 (ornithine decarboxylase) inhibitor, an EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor, an antineoplastic agent, an antilipemic drug, an angiogenesis inhibitor, an anti-inflammatory agent, an apoptosis inducer and a plant metabolite. It is a pentahydroxyflavone and a 7-hydroxyflavonol. It is functionally related to a kaempferol.

CAS Number527-95-7
PubChem CID5280544
IUPAC Name3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)chromen-4-one
Molecular FormulaC15H10O7
Molecular Weight302.23
XLogP2.2
Topological Polar Surface Area127
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity480
SMILES
C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)O)O)O
InChI
InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)14-13(21)12(20)10-8(17)5-9(18)11(19)15(10)22-14/h1-5,16-19,21H
InChIKey
ZDOTZEDNGNPOEW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Herbacetin
CAS: 527-95-7
CID: 5280544
Formula: C15H10O7
MW: 302.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.23
XLogP32.2
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
Complexity480
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

Alternative Products

CatalogName
M18737-01Herbacetin
A14786-50Herbacetin 50mg
A14786-25Herbacetin 25mg
A14786-10Herbacetin 10mg
A14786-5Herbacetin 5mg
A14786-1Herbacetin 1mg
HY-N0240RHerbacetin (Standard)
MBS3617900-01herbacetin-3,8-diglucopyranoside
A14786-10mM-DHerbacetin 10mM * 1mL in DMSO

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