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Jasminine

CAT: 0013-GTR19223448-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19223448-01Size:100 mg
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Description
Jasminine is a naturally occurring naphthyridine alkaloid. It serves as a valuable research tool for investigating alkaloid biosynthesis and has been utilized in both in vitro and in vivo studies to explore its biological activities and potential pharmacological properties.
CAS Number
19634-30-1
Smiles
C (OC) (=O) C1=C2C ([C@H] (C) NC (=O) C2) =CN=C1
Molecular Formula
C11H12N2O3
Molecular Weight
220.22
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methyl (8S)-5,6,7,8-tetrahydro-8-methyl-6-oxo-2,7-naphthyridine-4-carboxylate

Jasminine is a naphthyridine derivative.

CAS Number19634-30-1
PubChem CID442551
IUPAC Namemethyl (8S)-8-methyl-6-oxo-7,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
Molecular FormulaC11H12N2O3
Molecular Weight220.22
XLogP-0.1
Topological Polar Surface Area68.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity306
SMILES
C[C@H]1C2=CN=CC(=C2CC(=O)N1)C(=O)OC
InChI
InChI=1S/C11H12N2O3/c1-6-8-4-12-5-9(11(15)16-2)7(8)3-10(14)13-6/h4-6H,3H2,1-2H3,(H,13,14)/t6-/m0/s1
InChIKey
KSMITTDZTTZFML-LURJTMIESA-N
Chemical Structure
2D Structure
2D structure of Methyl (8S)-5,6,7,8-tetrahydro-8-methyl-6-oxo-2,7-naphthyridine-4-carboxylate
CAS: 19634-30-1
CID: 442551
Formula: C11H12N2O3
MW: 220.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight220.22
XLogP3-0.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass220.08479225
Monoisotopic Mass220.08479225
Topological Polar Surface Area68.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity306
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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