N-trans-Sinapoyltyramine

CAT: 0931-TN4618-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-TN4618-01Size:1 mg

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CAS Number

200125-11-7

Target

Others

Related Pathways

Others

Purity

0.9973

Bioactivity

N-trans-Sinapoyltyramine exhibited strong and selective cytotoxicity on the HeLa human cancer cell line with IC50 values of 9.77 ± 1.25 Μm.

Smiles

C(=C/C(NCCC1=CC=C(O)C=C1)=O)\C2=CC(OC)=C(O)C(OC)=C2

Molecular Formula

C19H21NO5

Molecular Weight

343.37

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

N-Trans-Sinapoyltyramine

N-trans-sinapoyltyramine is a N-sinapoyltyramine in which the double bond adopts trans-configuration. It is a natural product found in several plant species including Piper boehmeriaefolium. It has a role as a plant metabolite. It is functionally related to a trans-sinapic acid.

CAS Number	200125-11-7
PubChem CID	25245053
IUPAC Name	(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
Molecular Formula	C19H21NO5
Molecular Weight	343.4
XLogP	2.1
Topological Polar Surface Area	88
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	25
Formal Charge	0
Complexity	420

SMILES

COC1=CC(=CC(=C1O)OC)/C=C/C(=O)NCCC2=CC=C(C=C2)O

InChI

InChI=1S/C19H21NO5/c1-24-16-11-14(12-17(25-2)19(16)23)5-8-18(22)20-10-9-13-3-6-15(21)7-4-13/h3-8,11-12,21,23H,9-10H2,1-2H3,(H,20,22)/b8-5+

InChIKey

IEDBNTAKVGBZEP-VMPITWQZSA-N

Chemical Structure

2D Structure

CAS: 200125-11-7

CID: 25245053

Formula: C19H21NO5

MW: 343.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	343.4
XLogP3	2.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	343.14197277
Monoisotopic Mass	343.14197277
Topological Polar Surface Area	88 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	420
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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HY-N8919-01	N-trans-Sinapoyltyramine
BA2975-10	N-trans-Feruloyltyramine
BA6189-10	N-trans-Caffeoyltyramine
380902	N-trans-caffeoyloctopamine
AB0410	N-trans-Feruloyloctopamine
MBS5823288	N-trans-Feruloylputrescine

N-trans-Sinapoyltyramine

Chemical Information

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