Terphenyllin
Basic information
- CAS
52452-60-5- Standard SMILES
COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(O)cc1- InChIKey
YNEMPXKRLPZFAX-UHFFFAOYSA-N- Molecular formula
- C20H18O5
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.11542367
Overview
Terphenyllin is a para-terphenyl that is 1,1':4',1''-terphenyl substituted by methoxy groups at positions 3' and 6' and hydroxy groups at positions 2', 4 and 4''. It has been isolated from Aspergillus taichungensis. It has a role as a mycotoxin and an Aspergillus metabolite. It is a member of phenols, a dimethoxybenzene and a para-terphenyl.
Names & identifiers
- Preferred name
- Terphenyllin
- IUPAC
- 2,5-bis(4-hydroxyphenyl)-3,6-dimethoxyphenol
- English name
- TERPHENYLLIN
- Molecular formula
- C20H18O5
- Molecular weight
- 338.35
Names & synonyms
Terphenyllin52452-60-5JSR23Q1DOZ2,5-bis(4-hydroxyphenyl)-3,6-dimethoxyphenolCHEBI:67537NSC-299114[1,1':4',1''-Terphenyl]-2',4,4''-triol, 3',6'-dimethoxy-DTXSID50200452(1,1':4',1''-Terphenyl)-2',4,4''-triol, 3',6'-dimethoxy-RefChem:188047DTXCID50122943MFCD08274598
Show more names
Terphenyllin, 10 mM in DMSOGlucosidase,Terphenyllin,Inhibitor,inhibit3',6'-Dimethoxy(1,1':4',1''-terbenzene)-2',4,4''-triol
3',6'-dimethoxy-[1,1':4',1''-terphenyl]-2',4,4''-triol2,5-bis(4-hydroxyphenyl)-3,6-dimethoxy-phenolNSC 299114UNII-JSR23Q1DOZorb1219696orb1309016CHEMBL1795466SCHEMBL29615804
Database identifiers
- CAS
52452-60-5- PubChem CID
- 100437
- DTXSID
DTXSID50200452- ChEMBL
CHEMBL1795466- ChEBI
CHEBI:67537- UNII
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 401
Physicochemical properties
- Boiling point
- 499.2 · 499.2±45.0 °C(Predicted)
- Density
- 1.285 · 1.285±0.06 g/cm3(Predicted)
- solubility
- DMF: soluble; DMSO: soluble; Ethanol: soluble; Methanol: soluble
- form
- A solid
- pka
- 8.39 · 8.39±0.15(Predicted)
- color
- White to off-white
- FDA UNII
- 23 Q1DOZ · JSR23Q1DOZ
- HS Code
- 29419000 · 29419000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 29419000
Chemistry & industry
Applications
UsesTerphenyllin is the dominant analogue of a family of polyphenyl fungal metabolites produced by Aspergillus candidus. The occurrence of this metabolite is a criterion in the polyphasic taxonomy of A. candidus. Terphenyllin has not been extensively studied but exhibits anti-oxidative activity, acts as a plant growth inhibitor, and shows weak activity against HIV integrase.
UsesTerphenyllin is a major polyphenyl fungal metabolites produced byAspergillus candidus.
Additional notes
DefinitionChEBI: Terphenyllin is a para-terphenyl that is 1,1':4',1''-terphenyl substituted by methoxy groups at positions 3' and 6' and hydroxy groups at positions 2', 4 and 4''. It has been isolated from Aspergillus taichungensis. It has a role as a mycotoxin and an Aspergillus metabolite. It is a para-terphenyl, a member of phenols and a dimethoxybenzene.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…