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Ethylnotopterol

CAT: 0013-GTR19279148-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19279148-02Size:5 mg
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Description
Ethylnotopterol is a derivative of notopterol, primarily isolated from the Apiaceae plant Notopterygium incisum, also known as broad-leaved Notopterygium. Ethylnotopterol inhibits LPS-induced NO production in RAW 264.7 macrophages (IC50 = 18.1 ± 0.2 μM) . Ethylnotopterol exhibits significant anti-inflammatory and analgesic effects.
CAS Number
158269-48-8
Purity
99.78% (May vary between batches)
Smiles
O (C/C=C (/CC (C=C (C) C) OCC) \C) C=1C2=C (C=C3C1C=CO3) OC (=O) C=C2
Molecular Formula
C23H26O5
Molecular Weight
382.45
Notes
For research use only.

Chemical Information

4-[(2E)-5-ethoxy-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
CAS Number158269-48-8
PubChem CID5317258
IUPAC Name4-[(2E)-5-ethoxy-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
Molecular FormulaC23H26O5
Molecular Weight382.4
XLogP5.4
Topological Polar Surface Area57.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity631
SMILES
CCOC(C/C(=C/COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)/C)C=C(C)C
InChI
InChI=1S/C23H26O5/c1-5-25-17(12-15(2)3)13-16(4)8-10-27-23-18-6-7-22(24)28-21(18)14-20-19(23)9-11-26-20/h6-9,11-12,14,17H,5,10,13H2,1-4H3/b16-8+
InChIKey
HUIKFGYKROOMLM-LZYBPNLTSA-N
Chemical Structure
2D Structure
2D structure of 4-[(2E)-5-ethoxy-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
CAS: 158269-48-8
CID: 5317258
Formula: C23H26O5
MW: 382.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight382.4
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass382.17802393
Monoisotopic Mass382.17802393
Topological Polar Surface Area57.9 Ų
Heavy Atom Count28
Formal Charge0
Complexity631
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes