Echinatine

CAT: 0931-TN3914-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-TN3914-01Size:1 mg

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CAS Number

480-83-1

Target

ATPase, IL Receptor, TNF

Related Pathways

Immunology/Inflammation, Apoptosis, Membrane transporter/Ion channel

Bioactivity

Echinatin exerts a protective effect against ischemia/reperfusion (I/R) -induced myocardial injury on hearts, this effect may be attributed to the antioxidant and anti-inflammatory activities of this compound. Echinatin can inhibit DNP-ATPase activity while stimulating range latent ATPase activity in the low concentration, so echinatin can disturb the mitochondrial energy transfer reactions and membrane permeability.

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

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

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 Number	480-83-1
PubChem CID	12310804
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 Formula	C15H25NO5
Molecular Weight	299.36
XLogP	-0.4
Topological Polar Surface Area	90.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	21
Formal Charge	0
Complexity	436

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

CAS: 480-83-1

CID: 12310804

Formula: C15H25NO5

MW: 299.36

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	299.36
XLogP3	-0.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	299.17327290
Monoisotopic Mass	299.17327290
Topological Polar Surface Area	90.2 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	436
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T3926-01	Echinatin
TN3917	Echitamine
T75645-01	Echitamine chloride

Alternative Products

Catalog	Name
CS-O-42669	Echinatine
AR-E09265-01	Echinatine-d7
TRC-E325623-10MG	(+)-Echinatine
TRC-E378515-10MG	Echinatine Oxide
MBS5787102	Echinatine N-oxide
AR-E09266-01	Echinatine N-Oxide-d7

Echinatine

Chemical Information

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