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Graveolinine

CAT: 0013-GTR19240661-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19240661-02Size:10 mg
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Description
Graveolinine is a quinoline alkaloid isolated from Ruta chalepensis. It demonstrates antiplatelet activity by inhibiting arachidonic acid- and collagen-induced aggregation, as shown in rabbit models, making it a candidate for cardiovascular research.
CAS Number
4179-37-7
Smiles
N=1C=2C=CC=CC2C (OC) =CC1C=3C=CC=4OCOC4C3
Molecular Formula
C17H13NO3
Molecular Weight
279.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Graveolinine

Graveolinine is a member of quinolines.

CAS Number4179-37-7
PubChem CID11044132
IUPAC Name2-(1,3-benzodioxol-5-yl)-4-methoxyquinoline
Molecular FormulaC17H13NO3
Molecular Weight279.29
XLogP3.9
Topological Polar Surface Area40.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity364
SMILES
COC1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C17H13NO3/c1-19-16-9-14(18-13-5-3-2-4-12(13)16)11-6-7-15-17(8-11)21-10-20-15/h2-9H,10H2,1H3
InChIKey
QGCORDIPOBZNKC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Graveolinine
CAS: 4179-37-7
CID: 11044132
Formula: C17H13NO3
MW: 279.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight279.29
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass279.08954328
Monoisotopic Mass279.08954328
Topological Polar Surface Area40.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity364
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

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