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18642-23-4

18642-23-4 structural image
Product Name: psoralidin
Formula: C20H16O5
Synonyms: 3,9-Dihydroxy-2-(3-methyl-2-butenyl)-6H-benzofuro[3,2-c][1]benzopyran-6-one;3,9-Dihydroxy-2-prenylcoumestan
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 290 - 292 °C

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral

COMPUTED DESCRIPTORS

Molecular Weight 336.3 g/mol
XLogP3 4.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 336.09977361 g/mol
Monoisotopic Mass 336.09977361 g/mol
Topological Polar Surface Area 79.9 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 554
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Psoralidin is a member of the class of coumestans that is coumestan substituted by hydroxy groups at positions 3 and 9 and a prenyl group at position 2 respectively. It has a role as a plant metabolite and an estrogen receptor agonist. It is a member of coumestans, a polyphenol and a delta-lactone. It is functionally related to a coumestan.