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Psoralidin

Psoralidin structure

CAS No:
18642-23-4
Formula:
C20H16O5
Chemical Name:
Psoralidin
Synonyms:
6H-Benzofuro[3,2-c][1]benzopyran-6-one,3,9-dihydroxy-2-(3-methyl-2-buten-1-yl)-;6H-Benzofuro[3,2-c][1]benzopyran-6-one,3,9-dihydroxy-2-(3-methyl-2-butenyl)-;Psoralidin;3-Benzofurancarboxylic acid,2-[2,4-dihydroxy-5-(3-methyl-2-butenyl)phenyl]-6-hydroxy-,δ-lactone;3,9-Dihydroxy-2-(3-methyl-2-buten-1-yl)-6H-benzofuro[3,2-c][1]benzopyran-6-one;3,9-Dihydroxy-2-(3-methylbut-2-enyl)-[1]benzofuro[3,2-c]chromen-6-one
Categories:
Natural Products > Coumarin and Derivatives

Description

ChEBI: 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.

Solid

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 derives from a coumestan.

Psoralidin Basic Attributes

Molecular Weight：

336.343

Exact Mass：

336.34

UNII：

G16ZUQ069L

DSSTox ID：

DTXSID20171903

HScode：

2932999099

Characteristics

PSA：

79.9

XLogP3：

4.7

Appearance：

white to beige

Density：

1.383±0.06 g/cm3(Predicted)

Melting Point：

315 °C (decomp)

Boiling Point：

458.8±34.0 °C(Predicted)

Flash Point：

231.3±25.7 °C

Refractive Index：

1.689

Water Solubility：

DMSO: soluble5mg/mL, clear (warmed)

Storage Conditions：

-20°C

Vapor Pressure：

4.89E-09mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

Drug Information

MeSH：

Substances that possess antiestrogenic actions but can also produce estrogenic effects as well. They act as complete or partial agonist or as antagonist. They can be either steroidal or nonsteroidal in structure. (See all compounds classified as Estrogen Receptor Modulators.)

MeSH Entry Terms：

3,9-Dihydroxy-2-prenylcoumestan

Psoralidin Use and Manufacturing

Use Classification：

Polyketides [PK] -> Flavonoids [PK12] -> Coumestan flavonoids [PK1209]

Computed Properties

Molecular Weight:336.3
XLogP3:4.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:336.09977361
Monoisotopic Mass:336.09977361
Topological Polar Surface Area:79.9
Heavy Atom Count:25
Complexity:554
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Psoralidin

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
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