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O-Methylnotoptol

CAT: 0013-GTR19279149-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19279149-03Size:10 mg
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Description
O-Methylnotoptol is a natural coumarin compound isolated from the dried rhizomes and roots of Notopterygium incisum.O-Methylnotoptol inhibits LPS-induced NO production in RAW 264.7 macrophages (IC50 = 23.9 ± 2.9 μM) .
CAS Number
88206-50-2
Purity
99.78% (May vary between batches)
Smiles
O (C/C=C (/C/C=C/C (OC) (C) C) \C) C=1C2=C (C=C3C1C=CO3) OC (=O) C=C2
Molecular Formula
C22H24O5
Molecular Weight
368.42
Notes
For research use only.

Chemical Information

7'-O-methylnotoptol
CAS Number88206-50-2
PubChem CID177827161
IUPAC Name4-[(2E,5E)-7-methoxy-3,7-dimethylocta-2,5-dienoxy]furo[3,2-g]chromen-7-one
Molecular FormulaC22H24O5
Molecular Weight368.4
XLogP4.6
Topological Polar Surface Area57.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity618
SMILES
C/C(=C\COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)/C/C=C/C(C)(C)OC
InChI
InChI=1S/C22H24O5/c1-15(6-5-11-22(2,3)24-4)9-12-26-21-16-7-8-20(23)27-19(16)14-18-17(21)10-13-25-18/h5,7-11,13-14H,6,12H2,1-4H3/b11-5+,15-9+
InChIKey
BJXODHLPJMFACM-UHHZJSQJSA-N
Chemical Structure
2D Structure
2D structure of 7'-O-methylnotoptol
CAS: 88206-50-2
CID: 177827161
Formula: C22H24O5
MW: 368.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.4
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass368.16237386
Monoisotopic Mass368.16237386
Topological Polar Surface Area57.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity618
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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