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Echinatine

CAT: 0013-GTR19221920Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19221920Size:5 mg
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Description
Echinatin is a protective agent against myocardial ischemia/reperfusion injury, primarily through its antioxidant and anti-inflammatory properties. It modulates mitochondrial function by inhibiting DNP-ATPase and stimulating latent ATPase, thereby affecting energy metabolism and membrane permeability. This compound is used in cardiovascular research, with studies demonstrating its efficacy in both in vitro and in vivo models of cardiac damage.
CAS Number
480-83-1
Field of Research
Cell Biology, Immunology & Inflammation, Pharmacology & Drug Discovery
Smiles
C (OC ([C@] (C (C) C) ([C@H] (C) O) O) =O) C=1[C@]2 (N (CC1) CC[C@@H]2O) [H]
Molecular Formula
C15H25NO5
Molecular Weight
299.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

((1S,7aR)-2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl (2S,3S)-2,3-dihydroxy-2-(1-methylethyl)butanoate

echinatine has been reported in Cynoglossum germanicum, Heliotropium supinum, and other organisms with data available.

CAS Number480-83-1
PubChem CID12310804
IUPAC Name[(7S,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
Molecular FormulaC15H25NO5
Molecular Weight299.36
XLogP-0.4
Topological Polar Surface Area90.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity436
SMILES
C[C@@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)O)O)O
InChI
InChI=1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10-,12-,13+,15-/m0/s1
InChIKey
SFVVQRJOGUKCEG-DNVSUFBTSA-N
Chemical Structure
2D Structure
2D structure of ((1S,7aR)-2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl (2S,3S)-2,3-dihydroxy-2-(1-methylethyl)butanoate
CAS: 480-83-1
CID: 12310804
Formula: C15H25NO5
MW: 299.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight299.36
XLogP3-0.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass299.17327290
Monoisotopic Mass299.17327290
Topological Polar Surface Area90.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity436
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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