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69120-06-5

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69120-06-5 Structure

69120-06-5 Structure
IdentificationBack Directory
[Name]

5-(6-Hydroxybenzofuran-2-yl)-2-(3-methyl-2-butenyl)-1,3-benzenediol
[CAS]

69120-06-5
[Synonyms]

Moracin C
5-(6-Hydroxy-2-benzofuranyl)-2-(3-methyl-2-butenyl)-1,3-benzenediol
5-(6-Hydroxybenzofuran-2-yl)-2-(3-methyl-2-butenyl)-1,3-benzenediol
5-(6-hydroxy-1-benzofuran-2-yl)-2-(3-methylbut-2-enyl)benzene-1,3-diol
1,3-Benzenediol, 5-(6-hydroxy-2-benzofuranyl)-2-(3-methyl-2-buten-1-yl)-
[Molecular Formula]

C19H18O4
[MDL Number]

MFCD20274766
[MOL File]

69120-06-5.mol
[Molecular Weight]

310.34
Chemical PropertiesBack Directory
[Boiling point ]

439.4±35.0 °C(Predicted)
[density ]

1.278±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C, protect from light
[solubility ]

Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
[form ]

Powder
[pka]

9.08±0.40(Predicted)
[color ]

Off-white to light yellow
[InChI]

InChI=1S/C19H18O4/c1-11(2)3-6-15-16(21)7-13(8-17(15)22)18-9-12-4-5-14(20)10-19(12)23-18/h3-5,7-10,20-22H,6H2,1-2H3
[InChIKey]

ZTGHWUWBQNCCOH-UHFFFAOYSA-N
[SMILES]

C1(O)=CC(C2=CC3=CC=C(O)C=C3O2)=CC(O)=C1C/C=C(/C)\C
Safety DataBack Directory
[HS Code ]

2932999099
Hazard InformationBack Directory
[Uses]

Moracin C is used as a diabetic medication and also used in other drug development. An inhibitor of Staphylococcus aureus enoyl-acyl carrier protein reductase from Morus alba leaf.
[Definition]

ChEBI: Moracin C is a member of benzofurans.
[in vivo]

Moracin C (100 mg/kg, oral gavage, mice) was rapidly and well absorbed in the intestinal tract, and was highly distributed in the gastrointestinal tract, liver, kidneys, and lungs[2].

Animal Model:Mice (PK Assay)[2]
Dosage:100 mg/kg
Administration:Oral gavage
Result:Pharmacokinetic profile of Moracin C.
Parameters Terminal half-life (min) Cmax (μg/mL) Tmax (min)CLR (mL/min/kg)
100 mg/kg2561.79150.032
[target]

ROS | NOS | COX | TNF-α | IL Receptor | NO | NF-kB | ERK | JNK | p38MAPK | Antifection | c-Myc
[IC 50]

COX-2
Spectrum DetailBack Directory
[Spectrum Detail]

5-(6-Hydroxybenzofuran-2-yl)-2-(3-methyl-2-butenyl)-1,3-benzenediol(69120-06-5)1HNMR
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