Spilanthol (90%)

CAT: 1596-AR-S01858-04Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-S01858-04Size:250 Units

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CAS Number

25394-57-4

Synonyms

(2E,6Z,8E) -N-isobutyldeca-2,6,8-trienamide; (2E,6Z,8E) -N- (2-Methylpropyl) -2,6,8-decatrienamide; (E, E, Z) -N- (2-Methylpropyl) -2,6,8-decatrienamide; (E, E, Z) - N-Isobutyl-2,6,8-decatrienamide; Affinin; 2E,6Z,8E-Decatrienoic Acid N-Isobutylamide; N-Isobutyldeca-trans-2, cis-6, trans-8-trienamide

Molecular Formula

C14H23NO

Molecular Weight

221.35

API Name

Spilanthol

Chemical Information

Spilanthol

affinin has been reported in Acmella oppositifolia, Acmella oleracea, and Heliopsis longipes with data available.

CAS Number	25394-57-4
PubChem CID	5353001
IUPAC Name	(2E,6Z,8E)-N-(2-methylpropyl)deca-2,6,8-trienamide
Molecular Formula	C14H23NO
Molecular Weight	221.34
XLogP	3.6
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	7
Heavy Atom Count	16
Formal Charge	0
Complexity	262

SMILES

C/C=C/C=C\CC/C=C/C(=O)NCC(C)C

InChI

InChI=1S/C14H23NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,15,16)/b5-4+,7-6-,11-10+

InChIKey

BXOCHUWSGYYSFW-HVWOQQCMSA-N

Chemical Structure

2D Structure

CAS: 25394-57-4

CID: 5353001

Formula: C14H23NO

MW: 221.34

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	221.34
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	7
Exact Mass	221.177964357
Monoisotopic Mass	221.177964357
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	262
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
MBS6095018-01	Spilanthol
021017-01	Spilanthol A ((2E,6Z,8E) -N- (2-Methylpropyl) -2,6,8-Decatrienamide)
H1831-56	Heat Shock Protein 90 (HSP 90)
A2764-100	PIK-90
HY-174462	AChE-IN-90
HY-174471	HDAC-IN-90
FE65017-01	Eriodictyol - 90%
MT08923-01	Mangiferin - 90%
FL159528-01	Lanosterol - 90%
HY-162214	HSD17B13-IN-90

Spilanthol (90%)

Chemical Information

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