ChemicalBook--->CAS DataBase List--->4871-97-0

4871-97-0

4871-97-0 Structure

4871-97-0 Structure
IdentificationBack Directory
[Name]

Curcumol
[CAS]

4871-97-0
[Synonyms]

CURCUMOL
5,8-Epoxy-10(14)-guaien-8-ol
(3S,3aS,5S,6R,8aS)-Octahydro-3-methyl-8-methylene-5-(1-methylethyl)-6H-3a,6-epoxyazulen-6-ol
6H-3a,6-Epoxyazulen-6-ol, octahydro-3-methyl-8-methylene-5-(1-methylethyl)-, (3S,3aS,5S,6R,8aS)-
(3s-(3a,3aa,5a,6a,8ab))-octahydro-3-methyl-8-methylene-5-(1-methylethyl)-6h-3a,6-epoxyazulen-6-ol
(3S-(3alpha,3Aalpha,5alpha,6alpha,8abeta))-octahydro-3-methyl-8-methylene-5-(1-methylethyl)-6H-3A,6-epoxyazulen-6-ol
[Molecular Formula]

C15H24O2
[MDL Number]

MFCD00272163
[MOL File]

4871-97-0.mol
[Molecular Weight]

236.35
Chemical PropertiesBack Directory
[Melting point ]

141.0 to 145.0 °C
[Boiling point ]

334.5±42.0 °C(Predicted)
[density ]

1.06±0.1 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[solubility ]

DMSO:55.67(Max Conc. mg/mL);235.54(Max Conc. mM)
DMF:20.0(Max Conc. mg/mL);84.62(Max Conc. mM)
Ethanol:28.5(Max Conc. mg/mL);120.58(Max Conc. mM)
[form ]

neat
[pka]

13.02±0.60(Predicted)
[color ]

White to Light yellow
[InChIKey]

QRMPRVXWPCLVNI-YYFQZIEXSA-N
[LogP]

3.276 (est)
[CAS DataBase Reference]

4871-97-0
Safety DataBack Directory
[WGK Germany ]

3
[HS Code ]

29321900
Hazard InformationBack Directory
[Definition]

ChEBI: Curcumol is a sesquiterpenoid.
[Biological Activity]

Curcumol is a biologically active sesquiterpene with many pharmacological activities such as anticancer, antimicrobial, antifungal, antiviral and anti-inflammatory. It efficiently induces apoptosis in many cancer cells by targeting key signaling pathways such as MAPK/ERK, PI3K/Akt and NF-κB, which are often dysregulated in several cancers.
[in vitro]

Curcumol ((-)-Curcumol) is the major component extracted from root of Rhizoma Curcumae . Curcumol exerts anticancer effect in cholangiocarcinoma cells via down-regulating CDKL3. It induces cell cycle arrest in colon cancer cells via reactive oxygen species and Akt/ GSK3β/cyclin D1 pathway. It suppresses breast cancer cell metastasis by inhibiting MMP-9 via JNK1/2 and Akt-dependent NF-κB signaling pathways.
[storage]

Store at 4°C
Spectrum DetailBack Directory
[Spectrum Detail]

Curcumol(4871-97-0)1HNMR
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