Luteone

HCID 5281797
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Basic information

CAS
41743-56-0
Standard SMILES
CC(C)=CCc1c(O)cc2occ(-c3ccc(O)cc3O)c(=O)c2c1O
InChIKey
MMPVAPMCVABQPS-UHFFFAOYSA-N
Molecular formula
C20H18O6
Average molar mass
354.4 g/mol
Monoisotopic mass
354.11033829

Overview

Luteone is a member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by additional hydroxy groups at positions 5, 2' and 4' and a prenyl group at position 6. It has a role as a metabolite.

Names & identifiers

Preferred name
Luteone
IUPAC
3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromen-4-one
English name
LUTEONE
Molecular formula
C20H18O6
Molecular weight
354.35

Names & synonyms

LuteoneLuteone (isoflavone)UNII-FU3E0232IFFU3E0232IF3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-oneCHEBI:27917DTXSID001945743-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-4H-chromen-4-one4H-1-Benzopyran-4-one, 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-6-isopentenyl-2'-hydroxygenisteinRefChem:41762DTXCID40117065
Show more names
6-PRENYL-2'-HYDROXYGENISTEIN5,7,2',4'-TETRAHYDROXY-6-PRENYLISOFLAVONE3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)-1-benzopyran-4-one4H-1-Benzopyran-4-one,3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-buten-1-yl)-
41743-56-03-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromen-4-oneuncinanone ALuteone?CHEMBL549617MEGxp0_000744SCHEMBL1667408ACon1_000606

Database identifiers

CAS
41743-56-0
PubChem CID
5281797
DTXSID
DTXSID00194574
ChEMBL
CHEMBL549617
ChEBI
CHEBI:27917
UNII
FU3E0232IF
Nikkaji
J16.475E

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
107 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
26

Experimental & physicochemical properties

LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
Melting Point225 - 227 °C
Physical DescriptionSolid

Physicochemical properties

Boiling point
635.7 · 635.7±55.0 °C(Predicted)
Density
1.424 · 1.424±0.06 g/cm3(Predicted)
pka
6.87 · 6.87±0.20(Predicted)
form
Solid
color
Off-white to light yellow
LogP
5.08 · 5.080 (est)

Chemistry & industry

Pharmacology

Cellular LocationsMembrane

Applications

UsesLuteone is a natural isoflavone, with antioxidant, antibacterial and antifung activities[1].

Suppliers39 total

成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]

Additional notes

DefinitionChEBI: Luteone is a member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by additional hydroxy groups at positions 5, 2' and 4' and a prenyl group at position 6. It has a role as a metabolite.

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