4-(3-(4-Hydroxy-3-(3-methyl-2-buten-1-yl)phenyl)propyl)-1,3-benzenediol
Basic information
- CAS
76045-49-3- Standard SMILES
CC(C)=CCc1cc(CCCc2ccc(O)cc2O)ccc1O- InChIKey
CMOZGCJOTGLPKO-UHFFFAOYSA-N- Molecular formula
- C20H24O3
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.17254462
Overview
Broussonin C is a member of phenols.
Names & identifiers
- Preferred name
- 4-(3-(4-Hydroxy-3-(3-methyl-2-buten-1-yl)phenyl)propyl)-1,3-benzenediol
- IUPAC
- 4-[3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propyl]benzene-1,3-diol
- English name
- Broussonin C
- Molecular formula
- C20H24O3
- Molecular weight
- 312.4
Names & synonyms
Broussonin C76045-49-34-[3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propyl]benzene-1,3-diol4-(3-(4-hydroxy-3-(3-methylbut-2-enyl)phenyl)propyl)benzene-1,3-diolRefChem:10698754-(3-(4-Hydroxy-3-(3-methyl-2-buten-1-yl)phenyl)propyl)-1,3-benzenediolCHEMBL468906BroussoninCCHEBI:3186orb1683043SCHEMBL23268429SCHEMBL29369898
Show more names
5-[3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propyl]benzene-1,3-diol4-[3-[4-Hydroxy-3-(3-methyl-2-butenyl)phenyl]propyl]-1,3-benzenediol1,3-Benzenediol,4-[3-[4-hydroxy-3-(3- Methyl-2-butenyl)phenyl]propyl]-1,3-Benzenediol, 4-[3-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]propyl]-
BDA04549HY-N2962BDBM50254430TN3540AKOS040761431FS-9265DA-71773CS-0023596
Database identifiers
- CAS
76045-49-3
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Powder
Chemistry & industry
Applications
DescriptionBroussonin C and broussin are antifungal compounds. Broussonin C exerts simple reversible slow-binding inhibition against diphenolase.
UsesBroussonin C is a competitive inhibitor of Tyrosinase that can be isolated from Broussonetia kazinoki. Broussonin C inhibits monophenolase and diphenolase with IC50s of 0.43 and 0.57 μM, respectively[1].
Additional notes
DefinitionChEBI: Broussonin C is a member of phenols.
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Compound notes
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