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Imperatorin

CAT: 0127-OR1026150-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1026150-02Size:250 mg
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CAS Number
482-44-0
Synonyms
9- (3-methylbut-2-enoxy) furo[3,2-g]chromen-7-one
MDL Number
MFCD00016881
Purity
98%
Smiles
CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C
Storage Conditions
Store at -20°C

Chemical Information

Imperatorin

Imperatorin is a member of the class of psoralens that is psoralen substituted by a prenyloxy group at position 8. Isolated from Angelica dahurica and Angelica koreana, it acts as a acetylcholinesterase inhibitor. It has a role as a metabolite and an EC 3.1.1.7 (acetylcholinesterase) inhibitor.

CAS Number482-44-0
PubChem CID10212
IUPAC Name9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one
Molecular FormulaC16H14O4
Molecular Weight270.28
XLogP3.4
Topological Polar Surface Area48.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity436
SMILES
CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C
InChI
InChI=1S/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H3
InChIKey
OLOOJGVNMBJLLR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Imperatorin
CAS: 482-44-0
CID: 10212
Formula: C16H14O4
MW: 270.28
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.28
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass270.08920892
Monoisotopic Mass270.08920892
Topological Polar Surface Area48.7 Ų
Heavy Atom Count20
Formal Charge0
Complexity436
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GL5875-1mgImperatorin

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