Glabrone
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Basic information
- CAS
60008-02-8- Standard SMILES
CC1(C)C=Cc2c(ccc(-c3coc4cc(O)ccc4c3=O)c2O)O1- InChIKey
COLMVFWKLOZOOP-UHFFFAOYSA-N- Molecular formula
- C20H16O5
- Average molar mass
- 336.3 g/mol
- Monoisotopic mass
- 336.09977361
Overview
Glabrone is an isoflavonoid.
Names & identifiers
- Preferred name
- Glabrone
- IUPAC
- 7-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one
- English name
- Glabrone
- Molecular formula
- C20H16O5
- Molecular weight
- 336.34
Names & synonyms
Glabrone60008-02-8Morusin hydroperoxideEurycarpin B7-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one9U4M81SWUKDTXSID302087144H-1-Benzopyran-4-one, 7-hydroxy-3-(5-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-7,2'-dihydroxy-6'',6''-dimethylpyrano-(2'',3''-4',3')isoflavoneRefChem:37730DTXCID801312055',7-Dihydroxy-2',2'-dimethyl-2'H,4H-[3,6'-bichromen]-4-one
Show more names
Glabrone, 10 mM in DMSOGlabrone，Morusin hydroperoxidePPAR,Peroxisome proliferator-activated receptors,Glabrone,inhibit,Inhibitor7-Hydroxy-3-(5-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-4H-1-benzopyran-4-one
7-hydroxy-3-(5-hydroxy-2,2-dimethyl-chromen-6-yl)chromen-4-oneUNII-9U4M81SWUKMLS000697613CHEMBL600457orb1297358SCHEMBL30001760CHEBI:175272HMS2268B14
Database identifiers
- CAS
60008-02-8- PubChem CID
- 5317652
- DTXSID
DTXSID30208714- ChEMBL
CHEMBL600457- ChEBI
CHEBI:175272- UNII
- 9U4M81SWUK
- Nikkaji
- J179.707G
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 607
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
Melting Point224 - 226 °C
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 554.1 · 554.1±50.0 °C(Predicted)
- Density
- 1.368 · 1.368±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 6.91 · 6.91±0.20(Predicted)
- form
- Solid
- color
- Light yellow to yellow
- InChI
- InChI=1S/C20H16O5/c1-20(2)8-7-14-16(25-20)6-5-12(18(14)22)15-10-24-17-9-11(21)3-4-13(17)19(15)23/h3-10,21-22H,1-2H3
- InChIKey
- COLMVFWKLOZOOP-UHFFFAOYSA-N
- SMILES
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
UsesGlabrone is an isoflavone isolated from Glycyrrhiza glabra roots. Glabrone exhibits anti-influenza activity and significant PPAR-γ ligand-binding activity[1][2].
Additional notes
DefinitionChEBI: Glabrone is an isoflavonoid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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