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Glycycoumarin

Glycycoumarin structure

CAS No:
94805-82-0
Formula:
C21H20O6
Chemical Name:
Glycycoumarin
Synonyms:
2H-1-Benzopyran-2-one,3-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-6-(3-methyl-2-buten-1-yl)-;2H-1-Benzopyran-2-one,3-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-6-(3-methyl-2-butenyl)-;3-(2,4-Dihydroxyphenyl)-7-hydroxy-5-methoxy-6-(3-methyl-2-buten-1-yl)-2H-1-benzopyran-2-one;Glycycoumarin
Categories:
Natural Products > Coumarin and Derivatives

Description

Glycycoumarin is a major bioactive coumarin of licorice. Glycycoumarin inhibits hepatocyte lipoapoptosis through activation of autophagy and inhibition of ER stress-mediated JNK and GSK-3-mediated mitochondrial pathway. Glycycoumarin exerts anti-liver cancer activity by directly targeting T-LAK cell-originated protein kinase [1] [2].

Solid

Glycycoumarin is a member of the class of coumarins that is coumarin substituted by a hydroxy group at position 7, a methoxy group at position 5, a prenyl group at position 6 and a 2,4-dihydroxyphenyl group at position 3. Isolated from Glycyrrhiza uralensis, it exhibits antispasmodic activity. It has a role as an antispasmodic drug and a plant metabolite. It is a member of coumarins, an aromatic ether and a member of resorcinols.

Glycycoumarin Basic Attributes

Molecular Weight：

368.385

Exact Mass：

368.38

DSSTox ID：

DTXSID20241630

Characteristics

PSA：

96.2

XLogP3：

5.99

Density：

1.3±0.1 g/cm3

Melting Point：

243.5-244.5 °C

Boiling Point：

646.9±55.0 °C at 760 mmHg

Flash Point：

232.0±25.0 °C

Refractive Index：

1.649

Water Solubility：

4.11 mg/L @ 25 °C (est)

Drug Information

MeSH Entry Terms：

glycycoumarin

Glycycoumarin Use and Manufacturing

Use Classification：

Polyketides [PK] -> Flavonoids [PK12] -> Other Flavonoids [PK1216]

Computed Properties

Molecular Weight:368.4
XLogP3:4.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:368.12598835
Monoisotopic Mass:368.12598835
Topological Polar Surface Area:96.2
Heavy Atom Count:27
Complexity:608
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Glycycoumarin 94805-82-0

CAS No.: 94805-82-0

Grade: Chemical Grade

Content: 99%

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Guide of Glycycoumarin

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

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