3,9-Dihydroxy-2-(3-methyl-2-buten-1-yl)-6H-[1]benzofuro[3,2-c]chromen-6-one

Basic Information

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CAS Number

18642-23-4

Molecular Formula

C20H16O5

Molecular Weight

336.34 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

315°C(dec.)

Solubility

DMSO: soluble5mg/mL, clear (warmed)

SMILES

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CC(=CCC1=CC2=C(C=C1O)OC(=O)C3=C2OC4=C3C=CC(=C4)O)C

InChI

InChI=1S/C20H16O5/c1-10(2)3-4-11-7-14-17(9-15(11)22)25-20(23)18-13-6-5-12(21)8-16(13)24-19(14)18/h3,5-9,21-22H,4H2,1-2H3

InChIKey

YABIJLLNNFURIJ-UHFFFAOYSA-N

LogP

4.612300000000005

Topological Polar Surface Area

83.81 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

554

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

2-8℃

Synonyms & References

English

BDBM246524
6H-Benzofuro(3,2-c)(1)benzopyran-6-one, 3,9-dihydroxy-2-(3-methyl-2-butenyl)-
DTXCID2094394
3,9-dihydroxy-2-(3-methylbut-2-enyl)-[1]benzofuro[3,2-c]chromen-6-one
EN300-6730959
3-BENZOFURANCARBOXYLIC ACID, 2-(2,4-DIHYDROXY-5-(3-METHYL-2-BUTENYL)PHENYL)-6-HYDROXY-, .DELTA.-LACTONE
Q7256115
DTXSID20171903
CHEMBL4064323
AS-18741
3,9-dihydroxy-2-(3-methylbut-2-en-1-yl)-6H-(1)benzofuro(3,2-c)(1)benzopyran-6-one
HY-N0232
SCHEMBL3239072
CCG-267867
FT-0688287
Psoralidin
18642-23-4
UNII-G16ZUQ069L
NCGC00388431-05
Psoralidin (5)
P2605
3,9-Dihydroxy-2-(3-methyl-2-butenyl)-6H-benzofuro(3,2-c)(1)benzopyran-6-one
3,9-Dihydroxy-2-prenylcoumestan
3,9-Dihydroxy-2-(3-methylbut-2-en-1-yl)-6H-benzofuro[3,2-c]chromen-6-one
NS00018352
6H-Benzofuro(3,2-c)(1)benzopyran-6-one, 3,9-dihydroxy-2-(3-methyl-2-buten-1-yl)-
5,14-dihydroxy-4-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2,4,6,11(16),12,14-heptaen-9-one
LMPK12090007
MFCD10566617
G16ZUQ069L
A921802

MDL Number

MFCD10566617

Customs Code

2932999099

FAQ

What is 3,9-Dihydroxy-2-(3-methyl-2-buten-1-yl)-6H-[1]benzofuro[3,2-c]chromen-6-one (CAS: 18642-23-4)?

3,9-Dihydroxy-2-(3-methyl-2-buten-1-yl)-6H-[1]benzofuro[3,2-c]chromen-6-one (CAS: 18642-23-4) is a complex organic compound with a chromenone core and benzofuran substituents. Its chemical formula is C17H16O5, and it exhibits antioxidant properties due to the hydroxyl groups. It is a natural product derivative, often studied for its potential biological activities in pharmacological research.

What are the main uses of 3,9-Dihydroxy-2-(3-methyl-2-buten-1-yl)-6H-[1]benzofuro[3,2-c]chromen-6-one (CAS: 18642-23-4)?

This compound is primarily used in pharmaceutical research for its antioxidant and anti-inflammatory potential. It serves as a precursor in the synthesis of bioactive molecules and may be applied in drug development targeting oxidative stress-related diseases. Additionally, it is utilized in organic chemistry for structural studies and as a component in specialized industrial formulations.

Is 3,9-Dihydroxy-2-(3-methyl-2-buten-1-yl)-6H-[1]benzofuro[3,2-c]chromen-6-one (CAS: 18642-23-4) safe?

Safety of 3,9-Dihydroxy-2-(3-methyl-2-buten-1-yl)-6H-[1]benzofuro[3,2-c]chromen-6-one (CAS: 18642-23-4) depends on exposure conditions. While it is not classified as highly toxic, proper handling with gloves and ventilation is recommended. Always refer to safety data sheets (SDS) for detailed guidelines and ensure compliance with chemical safety standards during use.

How should 3,9-Dihydroxy-2-(3-methyl-2-buten-1-yl)-6H-[1]benzofuro[3,2-c]chromen-6-one (CAS: 18642-23-4) be stored?

Store 3,9-Dihydroxy-2-(3-methyl-2-buten-1-yl)-6H-[1]benzofuro[3,2-c]chromen-6-one (CAS: 18642-23-4) in a cool, dry, and dark place, ideally below 25°C. Keep it in a sealed container to prevent moisture ingress and maintain stability. Avoid exposure to light and air to preserve its chemical integrity over time.