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Griffonilide

CAT: 0931-T3873-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T3873-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
61371-55-9
Target
Others
Related Pathways
Others
Purity
0.9848
Bioactivity
Griffonilide is an extract from the Semiaquilegia adoxoides root, a traditional anticancer herb.
Smiles
O[C@@H]1[C@@]2(C(=CC(=O)O2)C=C[C@H]1O)[H]
Molecular Formula
C8H8O4
Molecular Weight
168.15
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Griffonilide

RN given for (6alpha,7beta,7abeta)-isomer; isolated from the roots of Semiaquilegia adoxoides; structure in first source

CAS Number61371-55-9
PubChem CID100341
IUPAC Name(6R,7S,7aS)-6,7-dihydroxy-7,7a-dihydro-6H-1-benzofuran-2-one
Molecular FormulaC8H8O4
Molecular Weight168.15
XLogP-1.1
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity279
SMILES
C1=CC2=CC(=O)O[C@@H]2[C@H]([C@@H]1O)O
InChI
InChI=1S/C8H8O4/c9-5-2-1-4-3-6(10)12-8(4)7(5)11/h1-3,5,7-9,11H/t5-,7+,8+/m1/s1
InChIKey
VXWUBYBAUIHOHG-DTLFHODZSA-N
Chemical Structure
2D Structure
2D structure of Griffonilide
CAS: 61371-55-9
CID: 100341
Formula: C8H8O4
MW: 168.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight168.15
XLogP3-1.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass168.04225873
Monoisotopic Mass168.04225873
Topological Polar Surface Area66.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity279
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
N2421-20Griffonilide
371520Griffonilide discontinued
HY-N0386RGriffonilide (Standard)
A14710-50Griffonilide 50mg
A14710-10Griffonilide 10mg
A14710-1Griffonilide 1mg
A14710-25Griffonilide 25mg
A14710-5Griffonilide 5mg
A14710-10mM-DGriffonilide 10mM * 1mL in DMSO

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