Basic information
- CAS
130756-20-6- Standard SMILES
COc1c(O)ccc(C2CC(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2)c1CC=C(C)C- InChIKey
CINHWJPZQLFMBC-UHFFFAOYSA-N- Molecular formula
- C26H30O6
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.20423867
Names & identifiers
- Preferred name
- 5,7-Dihydroxy-2-(4-hydroxy-3-methoxy-2-(3-methyl-but-2-enyl)-phenyl)-8-((E)-3-methyl-but-2-enyl)-1-benzopyran-4-one
- IUPAC
- 5,7-dihydroxy-2-[4-hydroxy-3-methoxy-2-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Names & synonyms
Antiarone G130756-20-65,7-Dihydroxy-2-(4-hydroxy-3-methoxy-2-(3-methyl-but-2-enyl)-phenyl)-8-((E)-3-methyl-but-2-enyl)-1-benzopyran-4-one5,7-Dihydroxy-2-[4-hydroxy-3-methoxy-2-(3-methyl-but-2-enyl)-phenyl]-8-((E)-3-methyl-but-2-enyl)-1-benzopyran-4-oneRefChem:298836DTXSID009268925,7-Dihydroxy-2-[4-hydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)phenyl]-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-1-benzopyran-4-one5,7-dihydroxy-2-[4-hydroxy-3-methoxy-2-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)chroman-4-one
Database identifiers
- CAS
130756-20-6- PubChem CID
- 480772
- DTXSID
DTXSID00926892
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 707
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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