ChemicalBook--->CAS DataBase List--->55481-88-4

55481-88-4

55481-88-4 Structure

55481-88-4 Structure
IdentificationBack Directory
[Name]

MOLLUGIN
[CAS]

55481-88-4
[Synonyms]

MOLLUGIN
Rubimaillin
MOLLUGIN(SH)
Mollugin/rubiMaillin
RUBIMAILLIN; MOLLUGIN
6-hydroxy-2, 2-dimethyl-, methylester
Mollugin, 98%, from Rubia cordifolia L.
2H-Naphtho[1,2-b]pyran-5-carboxylic acid
Methyl 6-hydroxy-2,2-dimethylbenzo[h]chromene-5-carboxylate
Methyl 6-Hydroxy-2,2-dimethyl-2H-benzo[h]chromene-5-carboxylate
6-Hydroxy-2,2-dimethyl-2H-benzo[h]chromene-5-carboxylic Acid Methyl Ester
2-DiMethyl-6-hydroxy-2H-naphtho[1,2-b]pyran-5-carboxylic acid Methyl ester
2,2-Dimethyl-6-hydroxy-2H-naphtho[1,2-b]pyran-5-carboxylic acid methyl ester
6-Hydroxy-2,2-dimethyl-2H-naphtho[1,2-b]pyran-5-carboxylic acid methyl ester
2H-Naphtho[1,2-b]pyran-5-carboxylic acid, 6-hydroxy-2,2-dimethyl-, methyl ester
[EINECS(EC#)]

683-209-5
[Molecular Formula]

C17H16O4
[MDL Number]

MFCD02752331
[MOL File]

55481-88-4.mol
[Molecular Weight]

284.31
Chemical PropertiesBack Directory
[Melting point ]

132~134℃
[Boiling point ]

453.2±45.0 °C(Predicted)
[density ]

1.239±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly)
[form ]

Solid
[pka]

8.40±0.40(Predicted)
[color ]

Yellow to Green
Safety DataBack Directory
[Safety Statements ]

24/25
[HS Code ]

29329990
Hazard InformationBack Directory
[Uses]

Mollugin is an anti-tumor agent inducing apoptosis and autophagy in various cancer models.
[Definition]

ChEBI: Rubimaillin is a benzochromene that is 2H-benzo[h]chromene which is substituted by two methyl groups at position 2, a methoxycarbonyl group at position 5, and a hydroxy group at position 6. Found in the Chinese medical plant Rubia cordifola, It has an anti-cancer effect by inhibition of TNF-alpha-induced NF-kappaB activation. It is also a dual inhibitor of acyl-CoA:cholesterol acyltransferase 1 and 2 (ACAT1 and ACAT2), but is more selective for the ACAT2 isozyme. It has a role as a plant metabolite, an acyl-CoA:cholesterol acyltransferase 2 inhibitor, a NF-kappaB inhibitor, an antineoplastic agent, an apoptosis inducer, a neuroprotective agent and an anti-inflammatory agent. It is a benzochromene, a methyl ester and a member of phenols.
Spectrum DetailBack Directory
[Spectrum Detail]

MOLLUGIN(55481-88-4)MS
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