ChemSpider 2D Image | (3aS,6Z,10Z,11aR)-6,10-Dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2(3H)-one | C15H20O2

(3aS,6Z,10Z,11aR)-6,10-Dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2(3H)-one

  • Molecular FormulaC15H20O2
  • Average mass232.318 Da
  • Monoisotopic mass232.146332 Da
  • ChemSpider ID23256961

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3aS,6Z,10Z,11aR)-6,10-Dimethyl-3-methylen-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2(3H)-on [German] [ACD/IUPAC Name]
(3aS,6Z,10Z,11aR)-6,10-Dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2(3H)-one [ACD/IUPAC Name]
(3aS,6Z,10Z,11aR)-6,10-Diméthyl-3-méthylène-3a,4,5,8,9,11a-hexahydrocyclodéca[b]furan-2(3H)-one [French] [ACD/IUPAC Name]
(3aS,6Z,10Z,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2(3H)-one
Cyclodeca[b]furan-2(3H)-one, 3a,4,5,8,9,11a-hexahydro-6,10-dimethyl-3-methylene-, (3aS,6Z,10Z,11aR)- [ACD/Index Name]
(+)-Costunolide
(+)-Costunolide;Costunolid;Costus lactone;NSC 106404
(3aS,6E,10E,11aR)-3a,4,5,8,9,11a-Hexahydro-6,10-dimethyl-3-methylene-cyclodeca[b]furan-2(3H)-one
(3aS,6Z,10E,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
(3As,6Z,10Z,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NSC 106404 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      Others TargetMol T2902

    • Chemical Class:

      A germacranolide with anthelminthic, antiparasitic and antiviral activities. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:3900

    • Bio Activity:

      Apoptosis MedChem Express HY-N0036
      Apoptosis inducer MedChem Express HY-N0036
      Apoptosis; MedChem Express HY-N0036
      Costunolide, a sesquiterpene lactone, exhibits anti-inflammatory and anti-oxidant properties and mediates apoptosis. MedChem Express
      Costunolide, a sesquiterpene lactone, exhibits anti-inflammatory and anti-oxidant properties and mediates apoptosis.; IC50 Value: 6.2 - 9.8 ug/mL(sarcoma cells viability)[3]; Target: Apoptosis inducer; in vitro: Costunolide significantly inhibited RANKL-induced BMM differentiation into osteoclasts in a dose-dependent manner without affecting cytotoxicity. MedChem Express HY-N0036
      Enzymes Tocris Bioscience 2483
      Inhibitor of human telomerase activity (IC50 = 65 ?M in MCF-7 breast cancer cells). Suppresses proliferation and induces apoptosis in a variety of human tumor cell lines. Selectively blocks endothelial cell proliferation induced by VEGF. Inhibits expression of iNOS and IL-1? and disrupts NF-?B activation. Displays anti-inflammatory, antifungal and antiviral properties. Tocris Bioscience 2483
      Others TargetMol T2902
      Polymerases Tocris Bioscience 2483
      Telomerase Tocris Bioscience 2483

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 385.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.4±3.0 kJ/mol
Flash Point: 162.0±25.3 °C
Index of Refraction: 1.519
Molar Refractivity: 68.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 211.49
ACD/KOC (pH 5.5): 1607.10
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 211.49
ACD/KOC (pH 7.4): 1607.10
Polar Surface Area: 26 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 35.1±5.0 dyne/cm
Molar Volume: 224.5±5.0 cm3

Click to predict properties on the Chemicalize site


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