Moracin C
Basic information
- CAS
69120-06-5- Standard SMILES
CC(C)=CCc1c(O)cc(-c2cc3ccc(O)cc3o2)cc1O- InChIKey
ZTGHWUWBQNCCOH-UHFFFAOYSA-N- Molecular formula
- C19H18O4
- Average molar mass
- 310.3 g/mol
- Monoisotopic mass
- 310.12050905
Overview
Moracin C is a member of benzofurans.
Names & identifiers
- Preferred name
- Moracin C
- IUPAC
- 5-(6-hydroxy-1-benzofuran-2-yl)-2-(3-methylbut-2-enyl)benzene-1,3-diol
- English name
- 5-(6-Hydroxybenzofuran-2-yl)-2-(3-methyl-2-butenyl)-1,3-benzenediol
- Molecular formula
- C19H18O4
- Molecular weight
- 310.34
Names & synonyms
Moracin C69120-06-5TGZ4GH2N645-(6-hydroxy-1-benzofuran-2-yl)-2-(3-methylbut-2-enyl)benzene-1,3-diol5-(6-hydroxy-1-benzofuran-2-yl)-2-(3-methylbut-2-en-1-yl)benzene-1,3-diolDTXSID702191821,3-Benzenediol, 5-(6-hydroxy-2-benzofuranyl)-2-(3-methyl-2-butenyl)-RefChem:926121DTXCID90141673CHEMBL20188765-(6-Hydroxybenzofuran-2-yl)-2-(3-methyl-2-butenyl)-1,3-benzenediol5-(6-Hydroxybenzofuran-2-yl)-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol
Show more names
5-(6-Hydroxy-2-benzofuranyl)-2-(3-methyl-2-butenyl)-1,3-benzenediol1,3-Benzenediol, 5-(6-hydroxy-2-benzofuranyl)-2-(3-methyl-2-buten-1-yl)-
2-(3,5-Dihydroxy-4-prenylphenyl)-6-hydroxybenzofuran5-(6-hydroxybenzofuran-2-yl)-2-(3-methylbut-2-enyl)benzene-1,3-diol5-(6-hydroxy-1-benzouran-2-yl)-2-(3-methylbut-2-enyl)benzene-1,3-diol1,3-Benzenediol, 5-(6-hydroxy-2-benzofuranyl)-2-(3-methyl-2-butenyl)- (9CI); 5-(6-Hydroxy-2-benzofuranyl)-2-(3-methyl-2-buten-1-yl)-1,3-benzenediolMoracinCMoracin C?UNII-TGZ4GH2N64orb1684403
Database identifiers
- CAS
69120-06-5- PubChem CID
- 155248
- DTXSID
DTXSID70219182- ChEMBL
CHEMBL2018876- ChEBI
CHEBI:174235- UNII
- TGZ4GH2N64
- Nikkaji
- J46.689A
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 419
Experimental & physicochemical properties
Melting Point198 - 199 °C
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 439.4 · 439.4±35.0 °C(Predicted)
- Density
- 1.278 · 1.278±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Powder
- pka
- 9.08 · 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
- FDA UNII
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
UsesMoracin 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.
Additional notes
DefinitionChEBI: Moracin C is a member of benzofurans.
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