7-O-Methyltectorigenin
Basic information
- CAS
1096-58-8- Standard SMILES
COc1cc2occ(-c3ccc(O)cc3)c(=O)c2c(O)c1OC- InChIKey
JDKYUORVNMYEIK-UHFFFAOYSA-N- Molecular formula
- C17H14O6
- Average molar mass
- 314.29 g/mol
- Monoisotopic mass
- 314.07903817
Overview
7-O-methyltectorigenin is a methoxyisoflavone that is tectorigenin in which the hydroxy group at position 7 has been replaced by a methoxy group. It has been isolated from Crotalaria lachnophora. It has a role as a plant metabolite. It is a member of 7-methoxyisoflavones and a hydroxyisoflavone. It is functionally related to a tectorigenin.
Names & identifiers
- Preferred name
- 7-O-Methyltectorigenin
- IUPAC
- 5-hydroxy-3-(4-hydroxyphenyl)-6,7-dimethoxychromen-4-one
- English name
- 5-Hydroxy-3-(4-hydroxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one
- Molecular formula
- C17H14O6
- Molecular weight
- 0
Names & synonyms
7-O-Methyltectorigenin1096-58-84',5-Dihydroxy-6,7-dimethoxyisoflavone5-hydroxy-3-(4-hydroxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one5-hydroxy-3-(4-hydroxyphenyl)-6,7-dimethoxychromen-4-oneIsoflavone, 4',5-dihydroxy-6,7-dimethoxy-5,4'-Dihydroxy-6,7-dimethoxyisoflavone5-hydroxy-3-(4-hydroxyphenyl)-6,7-dimethoxy-4H-chromen-4-oneCHEMBL1689286CHEBI:70033DTXSID30148989LMPK12050388
Show more names
Tectorigenin 7-methyl ether
Q27138374
Database identifiers
- CAS
1096-58-8- PubChem CID
- 5487785
- DTXSID
DTXSID30148989- ChEMBL
CHEMBL1689286- ChEBI
CHEBI:70033- Nikkaji
- J13.768E
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 468
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Additional notes
DefinitionChEBI: A methoxyisoflavone that is tectorigenin in which the hydroxy group at position 7 has been replaced by a methoxy group. It has been isolated from Crotalaria lachnophora.
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