Basic information
- CAS
136027-12-8- Standard SMILES
COc1ccc(C2COc3cc(O)ccc3C2)c(OC)c1OC- InChIKey
NAIULWLSYSLHJW-UHFFFAOYSA-N- Molecular formula
- C18H20O5
- Average molar mass
- 316.3 g/mol
- Monoisotopic mass
- 316.13107373
Overview
7-Hydroxy-2',3',4'-trimethoxyisoflavan is an ether and a member of flavonoids.
Names & identifiers
- Preferred name
- 7-Hydroxy-2',3',4'-trimethoxyisoflavan
- IUPAC
- 3-(2,3,4-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Names & synonyms
7-hydroxy-2',3',4'-trimethoxyisoflavan2243403-57-62'-O-Methylisomucronulatol5R4EH92AP5orb2893384SCHEMBL4726506CHEBI:175069TN8643(R)-7-Hydroxy-2',3',4'-trimethoxyisoflavan3-(2,3,4-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(2,3,4-trimethoxyphenyl)-3,4-Dihydro-3-(2,3,4-trimethoxyphenyl)-2H-1-benzopyran-7-ol
Show more names
3,4-Dihydro-3-(2,3,4-trimethoxyphenyl)-2H-1-benzopyran-7-ol, (+/-)-
Database identifiers
- CAS
136027-12-8、2243403-57-6- PubChem CID
- 54100766
- ChEBI
CHEBI:175069- UNII
- 5R4EH92AP5
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 376
Experimental & physicochemical properties
Melting Point168 - 170 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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