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Chemical structure of Heraclenin

GC36220

Heraclenin

Also known as 9-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one

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)

ChemicalCAS2880-49-1MW286.28FormulaC16H14O5
CAS number
2880-49-1
Molecular weight
286.28
Formula
C16H14O5
Solubility
Soluble in DMSO
InChIKey
CTJZWFCPUDPLME-LLVKDONJSA-N
Catalogue number
GC36220
Brand
GLPBIO
Computed properties PubChem CID 458010 · XLogP 2.2 · TPSA 61.2 Ų · H-bond donors 0
XLogP
2.2
TPSA
61.2 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
21

SMILES CC1([C@H](O1)COC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)C

Computed descriptors from PubChem (CID 458010), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
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