| Identification | Back Directory | [Name]
LUPULONE | [CAS]
468-28-0 | [Synonyms]
lupulon
LUPULONE
b’’-acid
B-LUPULIC ACID
lohexadien-1-one
BETA-BITTER ACID
BETA-LUPULIC ACID
Lupulone beta-acid
1-Amino-8-naphthol-3,5-disulfonic acid
5-Amino-4-hydroxy-1,7-naphthalenedisulfonic acid
3,5-DIHYDROXY-2-(3-METHYLBUTANOYL)-4,6,6-TRIS(3-METHYLBUT-2-ENYL)CYCLOHE
2,4-cyclohexadien-1-one,3,5-dihydroxy-4-isovaleryl-2,6,6-tris(3-methyl-2-but
3,5-dihydroxy-2,6,6-tris(3-methyl-2-butenyl)-4-(3-methyl-1-oxobutyl)-2,4-cyc
3,5-dihydroxy-2-isovaleryl-4,6,6-tris(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
3,5-DIHYDROXY-2,6,6-TRIS(3-METHYL-2-BUTENYL)-4-(3-METHYLBUTYRYL)-2,4-CYCLOHEXADIENONE
3,5-dihydroxy-2-(3-methylbutanoyl)-4,6,6-tris(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
3,5-Dihydroxy-2,6,6-tris(3-methyl-2-butenyl)-4-(3-methyl-1-oxobutyl)-2,4-cyclohexadien-1-one
3,5-dihydroxy-2,6,6-tris(3-methylbut-2-enyl)-4-(3-methyl-1-oxobutyl)cyclohexa-2,4-dien-1-one
3,5-dihydroxy-2,6,6-tris(3-methylbuten-2-yl)-4-(3-methyl-1-oxobutyl)cyclohexa-2,4-dien-1-one
2,4-Cyclohexadien-1-one,3,5-dihydroxy-2,6,6-tris(3-methyl-2-buten-1-yl)-4-(3-methyl-1-oxobutyl)-
β-Bitter acid, β-Lupulic acid, 3,5-Dihydroxy-2,6,6-tris(3-methyl-2-butenyl)-4-(3-methylbutyryl)-2,4-cyclohexadienone | [EINECS(EC#)]
207-405-3 | [Molecular Formula]
C26H38O4 | [MDL Number]
MFCD00075970 | [MOL File]
468-28-0.mol | [Molecular Weight]
414.58 |
| Chemical Properties | Back Directory | [Melting point ]
93℃ | [Boiling point ]
453.43°C (rough estimate) | [density ]
1.045±0.06 g/cm3 (20 ºC 760 Torr) | [vapor pressure ]
0Pa at 20℃ | [refractive index ]
1.4840 (estimate) | [storage temp. ]
Store at -20°C | [solubility ]
Methanol: slightly soluble | [form ]
A solid | [pka]
4.50±1.00(Predicted) | [Water Solubility ]
1g/L at 20℃ | [Stability:]
Hygroscopic | [LogP]
4.5 at 20℃ |
| Safety Data | Back Directory | [Hazard Codes ]
T | [Risk Statements ]
25 | [Safety Statements ]
45 | [RIDADR ]
2811 | [RTECS ]
OK5950000 | [HazardClass ]
6.1(b) | [PackingGroup ]
III | [Toxicity]
LD50 in mice, rats (mg/kg): 525, 100 orally (Hnsel, Wagener) |
| Hazard Information | Back Directory | [Uses]
Lupulone is a hop plant (Humulus lupulus L.) acid that inhibits tumorigenicity of hepatocellular carcinoma cells. | [Definition]
ChEBI: Lupulone is a beta-bitter acid in which the acyl group is specified as 3-methylbutanoyl. It has a role as an antimicrobial agent, an apoptosis inducer, an angiogenesis inhibitor and an antineoplastic agent. It is a conjugate acid of a lupulone(1-). | [Purification Methods]
Crystallise Lupulon from 90% MeOH, hexane or pet ether at low temperature. It has also been purified by chromatography through Kieselgel. [Wieland et al. Chem Ber 102 2012 1925, Riedl Chem Ber 85 692 1952, Beilstein 7 II 856, 7 III 4752, 7 IV 2866.] |
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