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5,8-Dihydroxypsoralen

CAT: 0013-GTR19221970-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19221970-01Size:25 mg
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Description
5,8-Dihydroxypsoralen is a furanocoumarin compound isolated from the medicinal plant Pueraria lobata. It serves as a key research tool in phytochemical and pharmacological studies, with investigations exploring its biological activities in both cellular and animal models.
CAS Number
14348-23-3
Smiles
O=C1OC2=C (O) C=3OC=CC3C (O) =C2C=C1
Molecular Formula
C11H6O5
Molecular Weight
218.16
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4,9-Dihydroxy-7H-furo(3,2-g)(1)benzopyran-7-one

5,8-Dihydroxypsoralen has been reported in Cnidium monnieri with data available.

CAS Number14348-23-3
PubChem CID5376215
IUPAC Name4,9-dihydroxyfuro[3,2-g]chromen-7-one
Molecular FormulaC11H6O5
Molecular Weight218.16
XLogP1.6
Topological Polar Surface Area79.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity339
SMILES
C1=CC(=O)OC2=C(C3=C(C=CO3)C(=C21)O)O
InChI
InChI=1S/C11H6O5/c12-7-2-1-5-8(13)6-3-4-15-10(6)9(14)11(5)16-7/h1-4,13-14H
InChIKey
DZEPISXWRUMGFN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,9-Dihydroxy-7H-furo(3,2-g)(1)benzopyran-7-one
CAS: 14348-23-3
CID: 5376215
Formula: C11H6O5
MW: 218.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.16
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass218.02152329
Monoisotopic Mass218.02152329
Topological Polar Surface Area79.9 Ų
Heavy Atom Count16
Formal Charge0
Complexity339
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

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