Products for Research Use Only
RegisterLogin

Heraclenin

CAT: 0804-HY-N4053Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-N4053Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Heraclenin, a natural furanocoumarin, significantly inhibits T cell receptor-mediated proliferation in human primary T cells in a concentration-dependent manner by targeting nuclear factor of activated T-cells (NFAT) [1].
CAS Number
2880-49-1
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Nuclear Factor of activated T Cells (NFAT)
Type
Natural Products
Related Pathways
Immunology/Inflammation
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/heraclenin.html
Purity
99.59
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CC1(C)[C@H](O1)COC2=C(OC=C3)C3=CC(C=C4)=C2OC4=O
Molecular Formula
C16H14O5
Molecular Weight
286.28
Precautions
H302, H315, H319, H335
References & Citations
[1]Márquez N, et al. Imperatorin inhibits T-cell proliferation by targeting the transcription factor NFAT. Planta Med. 2004 Nov;70 (11) :1016-21.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

(+)-Heraclenin

heraclenin has been reported in Halocnemum strobilaceum, Heracleum rapula, and other organisms with data available.

CAS Number2880-49-1
PubChem CID458010
IUPAC Name9-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one
Molecular FormulaC16H14O5
Molecular Weight286.28
XLogP2.2
Topological Polar Surface Area61.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity471
SMILES
CC1([C@H](O1)COC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)C
InChI
InChI=1S/C16H14O5/c1-16(2)11(21-16)8-19-15-13-10(5-6-18-13)7-9-3-4-12(17)20-14(9)15/h3-7,11H,8H2,1-2H3/t11-/m1/s1
InChIKey
CTJZWFCPUDPLME-LLVKDONJSA-N
Chemical Structure
2D Structure
2D structure of (+)-Heraclenin
CAS: 2880-49-1
CID: 458010
Formula: C16H14O5
MW: 286.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.28
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass286.08412354
Monoisotopic Mass286.08412354
Topological Polar Surface Area61.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity471
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

Related Products

CatalogName
HY-N4052A(±) -Heraclenol
HY-N0944-01(-) -Heraclenol
HY-N4052-01Heraclenol
HY-N4050Heraclenol acetonide
HY-N40513"-O-β-D-Glucopyranosyl- (2"R) -heraclenol
HY-N8982Heraclenol 3'-O-[beta-D-apiofuranosyl- (1-6) -beta-D-glucopyranoside]

Alternative Products

CatalogName
CS-BT-00365Heraclenin
FH137870-01(+/-) -Heraclenin

Popular Products