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R162

CAT: 0127-BUP09172-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP09172-02Size:10 mg
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CAS Number
64302-87-0
Purity
=95%
Smiles
Oc1c(CC=C)ccc2C(=O)c3ccccc3C(=O)c12

Chemical Information

2-Allyl-1-hydroxy-9,10-anthraquinone

2-allyl-1-hydroxy-9,10-anthraquinone is a monohydroxyanthraquinone that is 9,10-anthraquinone in which the hydrogens at positions 1 and 2 are replaced by a hydroxy and an allyl group, respectively. It has a role as an EC 1.4.1.3 {glutamate dehydrogenase [NAD(P)(+)]} inhibitor.

CAS Number64302-87-0
PubChem CID4412951
IUPAC Name1-hydroxy-2-prop-2-enylanthracene-9,10-dione
Molecular FormulaC17H12O3
Molecular Weight264.27
XLogP4.1
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity428
SMILES
C=CCC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)O
InChI
InChI=1S/C17H12O3/c1-2-5-10-8-9-13-14(15(10)18)17(20)12-7-4-3-6-11(12)16(13)19/h2-4,6-9,18H,1,5H2
InChIKey
IMUBGIOLZQTIGI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Allyl-1-hydroxy-9,10-anthraquinone
CAS: 64302-87-0
CID: 4412951
Formula: C17H12O3
MW: 264.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight264.27
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass264.078644241
Monoisotopic Mass264.078644241
Topological Polar Surface Area54.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity428
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
C01520-01R162
A19685-50R162 50mg
A19685-2R162 2mg
A19685-1R162 1mg
A19685-10R162 10mg
A19685-500R162 500mg
A19685-100R162 100mg

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