Centrolobofuran
Basic information
- CAS
67685-33-0- Standard SMILES
COc1ccc(-c2cc3ccc(O)cc3o2)c(O)c1- InChIKey
XDBDADAPEFSDHG-UHFFFAOYSA-N- Molecular formula
- C15H12O4
- Average molar mass
- 256.25 g/mol
- Monoisotopic mass
- 256.07355886
Overview
Centrolobofuran has been reported in Hedysarum polybotrys, Bolusanthus speciosus, and other organisms with data available.
Names & identifiers
- Preferred name
- Centrolobofuran
- IUPAC
- 2-(2-hydroxy-4-methoxyphenyl)-1-benzofuran-6-ol
Names & synonyms
CentrolobofuranBolusanthin IV67685-33-02-(2-Hydroxy-4-methoxyphenyl)benzofuran-6-ol2-(2'-Hydroxy-4'-methoxyphenyl)benzofuran-6-ol2-(2-hydroxy-4-methoxyphenyl)-1-benzofuran-6-olCHEMBL3358806SCHEMBL10800535DTXSID60348950LMPK12160039DS-0224766,6\'-Dihydroxy-4\'-methoxy-2-arylbenzofuran
Show more names
2-(2-Hydroxy-4-methoxy-phenyl)-benzofuran-6-ol6-hydroxy-2-(2-hydroxy-4-methoxyphenyl) benzofuran6-hydroxy-2-(2-hydroxy-4-methoxyphenyl)-benzofuranBolusanthin IV; 6,6'-Dihydroxy-4'-methoxy-2-arylbenzofuranInChI=1/C15H12O4/c1-18-11-4-5-12(13(17)8-11)15-6-9-2-3-10(16)7-14(9)19-15/h2-8,16-17H,1H
Database identifiers
- CAS
67685-33-0- PubChem CID
- 641806
- DTXSID
DTXSID60348950- ChEMBL
CHEMBL3358806- Nikkaji
- J353.526F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 309
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Other Flavonoids [PK1216]
SpringerMaterials PropertiesChemical shift
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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